 Entering Gaussian System, Link 0=g16
 Input=21_phenylethanol_conformer01_STD_LCPBE_augccpVDZ.in
 Output=21_phenylethanol_conformer01_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/Gau-148219.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    148220.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Aug-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=42GB
 %chk=21_phenylethanol_conformer01_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=026600000
 0,3/108=0266000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=266000000,108=266000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Aug 16 21:19:53 2021, MaxMem=  5637144576 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "21_phenylethanol_conformer01_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  O                                                 2.166220000000     -0.541659000000      1.195302000000
  C                                                 1.646020000000     -0.400115000000     -0.135719000000
  H                                                 1.838555000000      0.193959000000      1.725431000000
  H                                                 1.824407000000     -1.375317000000     -0.592567000000
  C                                                 2.427578000000      0.650046000000     -0.915467000000
  C                                                 0.150400000000     -0.165668000000     -0.105785000000
  H                                                 2.328899000000      1.638727000000     -0.463185000000
  H                                                 2.074000000000      0.712216000000     -1.946429000000
  H                                                 3.485412000000      0.387513000000     -0.919933000000
  C                                                -0.725222000000     -1.234479000000     -0.286837000000
  C                                                -2.100455000000     -1.052102000000     -0.214220000000
  C                                                -2.622082000000      0.208958000000      0.048005000000
  C                                                -1.759833000000      1.283245000000      0.232897000000
  C                                                -0.385458000000      1.096625000000      0.152590000000
  H                                                -0.321703000000     -2.220444000000     -0.483457000000
  H                                                -2.764487000000     -1.894375000000     -0.360877000000
  H                                                -3.693001000000      0.354600000000      0.105456000000
  H                                                -2.158100000000      2.269728000000      0.433453000000
  H                                                 0.270579000000      1.947610000000      0.286902000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          16          12           1           1          12          12           1           1           1          12
 AtmWgt=  15.9949146  12.0000000   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000
 NucSpn=           0           0           1           1           0           0           1           1           1           0
 AtZEff=   5.6000000   3.6000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   8.0000000   6.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=          12          12          12          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Mon Aug 16 21:19:53 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        2.166220   -0.541659    1.195302
      2          6           0        1.646020   -0.400115   -0.135719
      3          1           0        1.838555    0.193959    1.725431
      4          1           0        1.824407   -1.375317   -0.592567
      5          6           0        2.427578    0.650046   -0.915467
      6          6           0        0.150400   -0.165668   -0.105785
      7          1           0        2.328899    1.638727   -0.463185
      8          1           0        2.074000    0.712216   -1.946429
      9          1           0        3.485412    0.387513   -0.919933
     10          6           0       -0.725222   -1.234479   -0.286837
     11          6           0       -2.100455   -1.052102   -0.214220
     12          6           0       -2.622082    0.208958    0.048005
     13          6           0       -1.759833    1.283245    0.232897
     14          6           0       -0.385458    1.096625    0.152590
     15          1           0       -0.321703   -2.220444   -0.483457
     16          1           0       -2.764487   -1.894375   -0.360877
     17          1           0       -3.693001    0.354600    0.105456
     18          1           0       -2.158100    2.269728    0.433453
     19          1           0        0.270579    1.947610    0.286902
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  O    0.000000
     2  C    1.436057   0.000000
     3  H    0.964124   1.963128   0.000000
     4  H    2.002073   1.091582   2.799275   0.000000
     5  C    2.437994   1.523705   2.743958   2.137797   0.000000
     6  C    2.428524   1.514180   2.516456   2.121911   2.550787
     7  H    2.744290   2.174956   2.667926   3.058711   1.091690
     8  H    3.383959   2.167745   3.715721   2.500607   1.091680
     9  H    2.660422   2.149119   3.122107   2.444110   1.089934
    10  C    3.322224   2.518291   3.558456   2.571753   3.726494
    11  C    4.522369   3.803594   4.564068   3.956281   4.887958
    12  C    4.980718   4.315254   4.765634   4.763562   5.159642
    13  C    4.435131   3.816990   4.045071   4.538295   4.387948
    14  C    3.206600   2.539735   2.869646   3.398420   3.041932
    15  H    3.438940   2.703045   3.921128   2.309098   3.998111
    16  H    5.344474   4.662197   5.468255   4.623965   5.808544
    17  H    6.026733   5.397491   5.766128   5.824229   6.212170
    18  H    5.213833   4.682237   4.685219   5.495401   5.046920
    19  H    3.258083   2.753590   2.757391   3.772226   2.789625
                    6          7          8          9         10
     6  C    0.000000
     7  H    2.851216   0.000000
     8  H    2.803371   1.767317   0.000000
     9  H    3.477233   1.763995   1.775165   0.000000
    10  C    1.393503   4.196912   3.792033   4.556436   0.000000
    11  C    2.421543   5.188615   4.851746   5.811405   1.389173
    12  C    2.801902   5.178587   5.126814   6.186297   2.407012
    13  C    2.421372   4.162767   4.446775   5.444626   2.771187
    14  C    1.395452   2.835628   3.256161   4.078821   2.396368
    15  H    2.141873   4.681805   4.059578   4.635308   1.083335
    16  H    3.398539   6.199666   5.720074   6.676885   2.144655
    17  H    3.884203   6.183495   6.131592   7.251353   3.389215
    18  H    3.398691   4.619013   5.099054   6.101116   3.853754
    19  H    2.152810   2.212402   3.125107   3.771671   3.383266
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.389651   0.000000
    13  C    2.402037   1.389874   0.000000
    14  C    2.773588   2.408605   1.389310   0.000000
    15  H    2.145104   3.387653   3.854506   3.378101   0.000000
    16  H    1.082530   2.147434   3.385139   3.856100   2.467497
    17  H    2.148768   1.082303   2.148432   3.390083   4.282910
    18  H    3.384872   2.147236   1.082584   2.144135   4.937076
    19  H    3.856319   3.383411   2.137024   1.082866   4.279828
                   16         17         18         19
    16  H    0.000000
    17  H    2.477396   0.000000
    18  H    4.282338   2.476130   0.000000
    19  H    4.938835   4.275578   2.454327   0.000000
 Stoichiometry    C8H10O
 Framework group  C1[X(C8H10O)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.42D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        2.166220   -0.541659    1.195302
      2          6           0        1.646020   -0.400115   -0.135719
      3          1           0        1.838555    0.193959    1.725431
      4          1           0        1.824407   -1.375317   -0.592567
      5          6           0        2.427578    0.650046   -0.915467
      6          6           0        0.150400   -0.165668   -0.105785
      7          1           0        2.328899    1.638727   -0.463185
      8          1           0        2.074000    0.712216   -1.946429
      9          1           0        3.485412    0.387513   -0.919933
     10          6           0       -0.725222   -1.234479   -0.286837
     11          6           0       -2.100455   -1.052102   -0.214220
     12          6           0       -2.622082    0.208958    0.048005
     13          6           0       -1.759833    1.283245    0.232897
     14          6           0       -0.385458    1.096625    0.152590
     15          1           0       -0.321703   -2.220444   -0.483457
     16          1           0       -2.764487   -1.894375   -0.360877
     17          1           0       -3.693001    0.354600    0.105456
     18          1           0       -2.158100    2.269728    0.433453
     19          1           0        0.270579    1.947610    0.286902
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4676766           1.1011704           0.9798041
 Leave Link  202 at Mon Aug 16 21:19:54 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       3      4      7      8      9     15     16     17     18     19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      5      6     10     11     12     13     14
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 332 were deleted.
 There are   315 symmetry adapted cartesian basis functions of A   symmetry.
 There are   297 symmetry adapted basis functions of A   symmetry.
   297 basis functions,   543 primitive gaussians,   315 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       424.8829512949 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.266000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.266000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Aug 16 21:19:55 2021, MaxMem=  5637144576 cpu:              10.8 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   297 RedAO= T EigKep=  1.72D-06  NBF=   297
 NBsUse=   297 1.00D-06 EigRej= -1.00D+00 NBFU=   297
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   315   315   315   315   315 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Mon Aug 16 21:19:55 2021, MaxMem=  5637144576 cpu:               2.7 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Aug 16 21:19:56 2021, MaxMem=  5637144576 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "21_phenylethanol_conformer01_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Aug 16 21:19:56 2021, MaxMem=  5637144576 cpu:               2.2 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636940527 LenY=  5636840861
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -384.923845192698    
 DIIS: error= 2.95D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -384.923845192698     IErMin= 1 ErrMin= 2.95D-03
 ErrMax= 2.95D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.48D-03 BMatP= 9.48D-03
 IDIUse=3 WtCom= 9.70D-01 WtEn= 2.95D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.382 Goal=   None    Shift=    0.000
 GapD=    0.382 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=4.60D-02 MaxDP=2.41D+00              OVMax= 1.83D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.63D-02    CP:  1.55D+00
 E= -384.932474697743     Delta-E=       -0.008629505044 Rises=F Damp=F
 DIIS: error= 1.10D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -384.932474697743     IErMin= 2 ErrMin= 1.10D-03
 ErrMax= 1.10D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.19D-04 BMatP= 9.48D-03
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.10D-02
 Coeff-Com:  0.876D-01 0.912D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.866D-01 0.913D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=7.50D-03 MaxDP=4.16D-01 DE=-8.63D-03 OVMax= 9.40D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.54D-03    CP:  1.63D+00  1.16D+00
 E= -384.932613184341     Delta-E=       -0.000138486599 Rises=F Damp=F
 DIIS: error= 1.03D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -384.932613184341     IErMin= 3 ErrMin= 1.03D-03
 ErrMax= 1.03D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.13D-04 BMatP= 9.19D-04
 IDIUse=3 WtCom= 9.90D-01 WtEn= 1.03D-02
 Coeff-Com: -0.338D-01 0.510D+00 0.524D+00
 Coeff-En:   0.000D+00 0.446D+00 0.554D+00
 Coeff:     -0.334D-01 0.509D+00 0.525D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=1.67D-03 MaxDP=8.70D-02 DE=-1.38D-04 OVMax= 5.87D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.09D-04    CP:  1.65D+00  1.19D+00  1.12D+00
 E= -384.933270967979     Delta-E=       -0.000657783637 Rises=F Damp=F
 DIIS: error= 8.67D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -384.933270967979     IErMin= 4 ErrMin= 8.67D-05
 ErrMax= 8.67D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.53D-06 BMatP= 9.13D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.755D-02 0.295D-01 0.912D-01 0.887D+00
 Coeff:     -0.755D-02 0.295D-01 0.912D-01 0.887D+00
 Gap=     0.369 Goal=   None    Shift=    0.000
 RMSDP=4.57D-04 MaxDP=2.38D-02 DE=-6.58D-04 OVMax= 9.70D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.20D-04    CP:  1.66D+00  1.20D+00  1.19D+00  1.12D+00
 E= -384.933279845844     Delta-E=       -0.000008877865 Rises=F Damp=F
 DIIS: error= 4.93D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -384.933279845844     IErMin= 5 ErrMin= 4.93D-05
 ErrMax= 4.93D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.42D-06 BMatP= 8.53D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.731D-03-0.458D-01-0.209D-01 0.321D+00 0.744D+00
 Coeff:      0.731D-03-0.458D-01-0.209D-01 0.321D+00 0.744D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=8.48D-05 MaxDP=3.34D-03 DE=-8.88D-06 OVMax= 4.25D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.64D-05    CP:  1.66D+00  1.20D+00  1.22D+00  1.13D+00  1.16D+00
 E= -384.933281581931     Delta-E=       -0.000001736087 Rises=F Damp=F
 DIIS: error= 1.03D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -384.933281581931     IErMin= 6 ErrMin= 1.03D-05
 ErrMax= 1.03D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.36D-08 BMatP= 1.42D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.693D-03-0.158D-01-0.114D-01 0.461D-01 0.239D+00 0.742D+00
 Coeff:      0.693D-03-0.158D-01-0.114D-01 0.461D-01 0.239D+00 0.742D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=2.25D-05 MaxDP=9.80D-04 DE=-1.74D-06 OVMax= 1.41D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  9.75D-06    CP:  1.66D+00  1.20D+00  1.22D+00  1.13D+00  1.27D+00
                    CP:  1.06D+00
 E= -384.933281697787     Delta-E=       -0.000000115856 Rises=F Damp=F
 DIIS: error= 5.19D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -384.933281697787     IErMin= 7 ErrMin= 5.19D-06
 ErrMax= 5.19D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.05D-08 BMatP= 9.36D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.267D-03-0.969D-03-0.232D-02-0.250D-01 0.600D-03 0.331D+00
 Coeff-Com:  0.696D+00
 Coeff:      0.267D-03-0.969D-03-0.232D-02-0.250D-01 0.600D-03 0.331D+00
 Coeff:      0.696D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=1.26D-05 MaxDP=7.58D-04 DE=-1.16D-07 OVMax= 6.67D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.47D-06    CP:  1.66D+00  1.20D+00  1.22D+00  1.14D+00  1.31D+00
                    CP:  1.14D+00  1.07D+00
 E= -384.933281724747     Delta-E=       -0.000000026960 Rises=F Damp=F
 DIIS: error= 9.82D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -384.933281724747     IErMin= 8 ErrMin= 9.82D-07
 ErrMax= 9.82D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.27D-10 BMatP= 2.05D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.449D-04 0.172D-02 0.105D-02-0.113D-01-0.295D-01-0.147D-01
 Coeff-Com:  0.157D+00 0.896D+00
 Coeff:     -0.449D-04 0.172D-02 0.105D-02-0.113D-01-0.295D-01-0.147D-01
 Coeff:      0.157D+00 0.896D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=5.24D-06 MaxDP=2.75D-04 DE=-2.70D-08 OVMax= 2.13D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.17D-06    CP:  1.66D+00  1.20D+00  1.22D+00  1.13D+00  1.32D+00
                    CP:  1.16D+00  1.15D+00  1.07D+00
 E= -384.933281726553     Delta-E=       -0.000000001805 Rises=F Damp=F
 DIIS: error= 2.20D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -384.933281726553     IErMin= 9 ErrMin= 2.20D-07
 ErrMax= 2.20D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.19D-11 BMatP= 9.27D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.166D-04 0.192D-03 0.208D-03 0.240D-03-0.223D-02-0.186D-01
 Coeff-Com: -0.234D-01 0.842D-01 0.959D+00
 Coeff:     -0.166D-04 0.192D-03 0.208D-03 0.240D-03-0.223D-02-0.186D-01
 Coeff:     -0.234D-01 0.842D-01 0.959D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=4.16D-07 MaxDP=2.00D-05 DE=-1.81D-09 OVMax= 4.36D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.35D-07    CP:  1.66D+00  1.20D+00  1.22D+00  1.13D+00  1.32D+00
                    CP:  1.16D+00  1.17D+00  1.12D+00  1.15D+00
 E= -384.933281726651     Delta-E=       -0.000000000098 Rises=F Damp=F
 DIIS: error= 1.06D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -384.933281726651     IErMin=10 ErrMin= 1.06D-07
 ErrMax= 1.06D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.78D-12 BMatP= 3.19D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.142D-05-0.855D-04-0.246D-04 0.108D-02 0.193D-02-0.482D-02
 Coeff-Com: -0.205D-01-0.509D-01 0.283D+00 0.790D+00
 Coeff:     -0.142D-05-0.855D-04-0.246D-04 0.108D-02 0.193D-02-0.482D-02
 Coeff:     -0.205D-01-0.509D-01 0.283D+00 0.790D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=1.93D-07 MaxDP=8.82D-06 DE=-9.83D-11 OVMax= 1.75D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  6.95D-08    CP:  1.66D+00  1.20D+00  1.22D+00  1.13D+00  1.32D+00
                    CP:  1.16D+00  1.17D+00  1.12D+00  1.20D+00  1.10D+00
 E= -384.933281726696     Delta-E=       -0.000000000045 Rises=F Damp=F
 DIIS: error= 5.81D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -384.933281726696     IErMin=11 ErrMin= 5.81D-08
 ErrMax= 5.81D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.26D-13 BMatP= 5.78D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.119D-05-0.521D-04-0.333D-04 0.388D-03 0.934D-03 0.197D-04
 Coeff-Com: -0.480D-02-0.271D-01 0.721D-02 0.279D+00 0.745D+00
 Coeff:      0.119D-05-0.521D-04-0.333D-04 0.388D-03 0.934D-03 0.197D-04
 Coeff:     -0.480D-02-0.271D-01 0.721D-02 0.279D+00 0.745D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=7.57D-08 MaxDP=3.65D-06 DE=-4.48D-11 OVMax= 8.55D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.81D-08    CP:  1.66D+00  1.20D+00  1.22D+00  1.13D+00  1.32D+00
                    CP:  1.16D+00  1.16D+00  1.12D+00  1.21D+00  1.16D+00
                    CP:  1.02D+00
 E= -384.933281726688     Delta-E=        0.000000000008 Rises=F Damp=F
 DIIS: error= 1.85D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -384.933281726696     IErMin=12 ErrMin= 1.85D-08
 ErrMax= 1.85D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.60D-13 BMatP= 9.26D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.651D-06-0.140D-05-0.780D-05-0.684D-04-0.660D-04 0.837D-03
 Coeff-Com:  0.239D-02 0.607D-03-0.485D-01-0.644D-01 0.244D+00 0.865D+00
 Coeff:      0.651D-06-0.140D-05-0.780D-05-0.684D-04-0.660D-04 0.837D-03
 Coeff:      0.239D-02 0.607D-03-0.485D-01-0.644D-01 0.244D+00 0.865D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=2.27D-08 MaxDP=9.95D-07 DE= 8.41D-12 OVMax= 4.84D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.03D-08    CP:  1.66D+00  1.20D+00  1.22D+00  1.13D+00  1.32D+00
                    CP:  1.16D+00  1.16D+00  1.12D+00  1.21D+00  1.18D+00
                    CP:  1.13D+00  1.11D+00
 E= -384.933281726704     Delta-E=       -0.000000000017 Rises=F Damp=F
 DIIS: error= 7.91D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -384.933281726704     IErMin=13 ErrMin= 7.91D-09
 ErrMax= 7.91D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.85D-14 BMatP= 1.60D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.127D-07 0.720D-05 0.296D-05-0.710D-04-0.150D-03 0.186D-03
 Coeff-Com:  0.126D-02 0.393D-02-0.130D-01-0.578D-01-0.468D-01 0.185D+00
 Coeff-Com:  0.927D+00
 Coeff:     -0.127D-07 0.720D-05 0.296D-05-0.710D-04-0.150D-03 0.186D-03
 Coeff:      0.126D-02 0.393D-02-0.130D-01-0.578D-01-0.468D-01 0.185D+00
 Coeff:      0.927D+00
 Gap=     0.368 Goal=   None    Shift=    0.000
 RMSDP=9.32D-09 MaxDP=4.03D-07 DE=-1.67D-11 OVMax= 2.13D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -384.933281727     A.U. after   13 cycles
            NFock= 13  Conv=0.93D-08     -V/T= 2.0047
 KE= 3.831437969004D+02 PE=-1.746536629882D+03 EE= 5.535765999596D+02
 Leave Link  502 at Mon Aug 16 21:22:06 2021, MaxMem=  5637144576 cpu:            1032.4 elap:             129.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   297
 NBasis=   297 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    297 NOA=    33 NOB=    33 NVA=   264 NVB=   264

 **** Warning!!: The largest alpha MO coefficient is  0.15221537D+03

 Leave Link  801 at Mon Aug 16 21:22:06 2021, MaxMem=  5637144576 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5873 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.45D-13 8.33D-09 XBig12= 1.00D+00 3.46D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.45D-13 8.33D-09 XBig12= 2.15D-01 7.72D-02.
     11 vectors produced by pass  2 Test12= 1.45D-13 8.33D-09 XBig12= 4.20D-02 5.97D-02.
     11 vectors produced by pass  3 Test12= 1.45D-13 8.33D-09 XBig12= 3.69D-03 1.51D-02.
     11 vectors produced by pass  4 Test12= 1.45D-13 8.33D-09 XBig12= 4.46D-04 4.87D-03.
     11 vectors produced by pass  5 Test12= 1.45D-13 8.33D-09 XBig12= 3.21D-05 7.65D-04.
     11 vectors produced by pass  6 Test12= 1.45D-13 8.33D-09 XBig12= 1.40D-06 1.73D-04.
     11 vectors produced by pass  7 Test12= 1.45D-13 8.33D-09 XBig12= 3.82D-08 3.55D-05.
     11 vectors produced by pass  8 Test12= 1.45D-13 8.33D-09 XBig12= 1.01D-09 5.44D-06.
     11 vectors produced by pass  9 Test12= 1.45D-13 8.33D-09 XBig12= 2.32D-11 5.55D-07.
      8 vectors produced by pass 10 Test12= 1.45D-13 8.33D-09 XBig12= 4.87D-13 7.78D-08.
      1 vectors produced by pass 11 Test12= 1.45D-13 8.33D-09 XBig12= 2.04D-14 1.08D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   119 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.131474D+03
      2  0.104370D+01  0.105541D+03
      3 -0.146524D+01  0.545805D+01  0.751134D+02
 Isotropic polarizability for W=    0.085645      104.04 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.898953D+02 -0.342774D+01  0.760529D+01
      2   0.302702D+02  0.104866D+02  0.733921D+01
      3   0.596252D+02 -0.705882D+01 -0.149445D+02
      4   0.163322D+02 -0.804311D+02 -0.269328D+02
      5  -0.172436D+02 -0.273371D+02  0.246300D+02
      6  -0.110480D+02 -0.150363D+02  0.993804D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.566329D+00 -0.808246D+01 -0.263452D+01
      2   0.114268D+02 -0.107499D+02  0.797086D+01
      3   0.147810D+01  0.404910D+02  0.100332D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.404286D+00 -0.223755D+02 -0.169969D+02
      2   0.248489D+02 -0.158848D+02 -0.349952D+02
      3   0.197600D+02  0.110701D+03  0.162891D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.459405D+00 -0.526911D+00  0.634493D+00
      2  -0.526911D+00  0.132856D+01 -0.265220D+01
      3   0.634493D+00 -0.265220D+01 -0.101950D+01
 OR G Eigenvalues:    -2.7729    -0.6013     3.2239  Iso=     0.0501
 Eigenvectors:
   (1)  -0.110011   0.529704   0.841018
   (2)   0.971563   0.235809  -0.021435
   (3)  -0.209674   0.814744  -0.540582
 w=    0.085645 a.u., Optical Rotation Beta=      0.0501 au.
 Molar Mass =    122.1664 grams/mole, [Alpha] ( 5320.0 A) =       19.45 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   44253 ScalPx= 1.68D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.71D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.42D-14 2.78D-09 XBig12= 1.00D+00 4.54D-01.
     30 vectors produced by pass  1 Test12= 2.42D-14 2.78D-09 XBig12= 2.86D-02 3.30D-02.
     30 vectors produced by pass  2 Test12= 2.42D-14 2.78D-09 XBig12= 9.42D-04 8.69D-03.
     30 vectors produced by pass  3 Test12= 2.42D-14 2.78D-09 XBig12= 1.43D-05 6.99D-04.
     30 vectors produced by pass  4 Test12= 2.42D-14 2.78D-09 XBig12= 2.87D-07 9.25D-05.
     30 vectors produced by pass  5 Test12= 2.42D-14 2.78D-09 XBig12= 4.32D-09 7.23D-06.
     30 vectors produced by pass  6 Test12= 2.42D-14 2.78D-09 XBig12= 4.91D-11 8.05D-07.
     30 vectors produced by pass  7 Test12= 2.42D-14 2.78D-09 XBig12= 4.34D-13 8.09D-08.
      9 vectors produced by pass  8 Test12= 2.42D-14 2.78D-09 XBig12= 4.55D-15 7.68D-09.
      1 vectors produced by pass  9 Test12= 2.42D-14 2.78D-09 XBig12= 1.19D-15 3.20D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   250 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 4.20D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 4.20D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.22D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.131474D+03  0.104370D+01 -0.146524D+01
      2   0.104370D+01  0.105541D+03  0.545805D+01
      3  -0.146524D+01  0.545805D+01  0.751134D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.566329D+00 -0.808246D+01 -0.263452D+01
      2   0.114268D+02 -0.107499D+02  0.797086D+01
      3   0.147810D+01  0.404910D+02  0.100332D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.898953D+02 -0.342774D+01  0.760529D+01
      2   0.302702D+02  0.104866D+02  0.733921D+01
      3   0.596252D+02 -0.705882D+01 -0.149445D+02
      4   0.163322D+02 -0.804311D+02 -0.269328D+02
      5  -0.172436D+02 -0.273371D+02  0.246300D+02
      6  -0.110480D+02 -0.150363D+02  0.993804D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.504969D+01 -0.868752D+00  0.213574D+01 -0.280380D+01  0.198272D+01
      2  -0.868752D+00  0.864303D+00 -0.477198D+00  0.198272D+01 -0.305325D+01
      3   0.213574D+01 -0.477198D+00  0.265145D+01 -0.118821D+01  0.426947D-01
                 6             7             8             9            10 
      1  -0.118821D+01  0.554374D+01 -0.953191D+00  0.370393D+01 -0.385588D+01
      2   0.426947D-01 -0.953191D+00 -0.126991D+01 -0.311377D+01  0.150386D+00
      3  -0.326927D+01  0.370393D+01 -0.311377D+01  0.260117D+01 -0.512742D+00
                11            12            13            14            15 
      1   0.150386D+00 -0.512742D+00 -0.377286D+00 -0.213749D+01  0.179620D+01
      2  -0.646124D+00  0.154760D+01 -0.213749D+01  0.398273D+01  0.312836D+01
      3   0.154760D+01 -0.239456D+01  0.179620D+01  0.312836D+01  0.151117D+00
                16            17            18            19            20 
      1  -0.457390D+01  0.192003D+01 -0.497012D+01 -0.629776D+00  0.355682D+00
      2   0.192003D+01  0.328598D+01  0.185469D+01  0.355682D+00 -0.465021D+00
      3  -0.497012D+01  0.185469D+01 -0.157349D+01  0.155749D-01 -0.390289D+00
                21            22            23            24            25 
      1   0.155749D-01  0.228085D+01 -0.502488D-01  0.367723D+00  0.173104D+01
      2  -0.390289D+00 -0.502488D-01  0.212287D+01  0.171689D+01 -0.181596D+00
      3  -0.126891D+01  0.367723D+00  0.171689D+01  0.313854D+01  0.415152D+00
                26            27            28            29            30 
      1  -0.181596D+00  0.415152D+00  0.297258D+00 -0.113842D+01 -0.681940D+00
      2   0.194688D+01  0.123127D+01 -0.113842D+01  0.118416D+01  0.178093D+00
      3   0.123127D+01  0.418241D+01 -0.681940D+00  0.178093D+00  0.771703D+00
                31            32            33            34            35 
      1  -0.261836D+01  0.186101D+01  0.380693D+00 -0.104589D+01  0.391267D+00
      2   0.186101D+01 -0.601375D+01 -0.181858D+01  0.391267D+00 -0.221708D+01
      3   0.380693D+00 -0.181858D+01 -0.185717D+01  0.110967D+01 -0.164714D+01
                36            37            38            39            40 
      1   0.110967D+01 -0.837623D+01  0.196300D+01  0.138663D+00  0.429602D+01
      2  -0.164714D+01  0.196300D+01  0.110198D+01 -0.115874D+01  0.121959D+01
      3  -0.149433D+01  0.138663D+00 -0.115874D+01  0.306399D+01 -0.138072D+01
                41            42            43            44            45 
      1   0.121959D+01 -0.138072D+01 -0.118675D+01 -0.139596D+01  0.248309D+01
      2  -0.344099D+01 -0.287646D+01 -0.139596D+01 -0.271555D+01 -0.818164D+00
      3  -0.287646D+01 -0.213655D+00  0.248309D+01 -0.818164D+00  0.489573D+01
                46            47            48            49            50 
      1   0.176191D+02 -0.195055D+01  0.100287D+01 -0.317931D+01 -0.121389D+01
      2  -0.195055D+01  0.253214D+01  0.167979D-01 -0.121389D+01 -0.703680D+00
      3   0.100287D+01  0.167979D-01  0.222187D+01 -0.160602D+01 -0.440536D+00
                51            52            53            54            55 
      1  -0.160602D+01 -0.587271D+00 -0.105936D+01  0.392376D+01  0.443347D+00
      2  -0.440536D+00 -0.105936D+01 -0.231235D+00 -0.474134D+00  0.441584D+00
      3  -0.911483D-01  0.392376D+01 -0.474134D+00 -0.313364D+00  0.471258D+00
                56            57            58            59            60 
      1   0.441584D+00  0.471258D+00  0.206721D+01  0.902989D+00 -0.163492D+00
      2  -0.567106D-01  0.253312D+00  0.902989D+00  0.615865D+01  0.977139D+00
      3   0.253312D+00 -0.406557D+00 -0.163492D+00  0.977139D+00  0.180388D+01
                61            62            63            64            65 
      1   0.142913D+01  0.584797D+00 -0.174517D+00  0.458808D-02 -0.110676D+00
      2   0.584797D+00  0.209771D+01  0.117690D+01 -0.110676D+00 -0.527105D+00
      3  -0.174517D+00  0.117690D+01  0.619411D+00 -0.830683D+00  0.397958D+00
                66            67            68            69            70 
      1  -0.830683D+00 -0.428353D+00 -0.300457D-01  0.118679D+00 -0.188402D+01
      2   0.397958D+00 -0.300457D-01  0.710063D+00 -0.874264D+00 -0.211008D+00
      3  -0.206251D+01  0.118679D+00 -0.874264D+00  0.532910D+00  0.176622D+00
                71            72            73            74            75 
      1  -0.211008D+00  0.176622D+00  0.128625D+02 -0.430214D+00 -0.152200D+01
      2  -0.133079D+01  0.127368D+01 -0.430214D+00  0.118648D+01 -0.349015D-01
      3   0.127368D+01 -0.869518D+01 -0.152200D+01 -0.349015D-01  0.135587D+01
                76            77            78            79            80 
      1  -0.252991D+01  0.100659D+01  0.534432D+00 -0.407636D-01  0.154972D+00
      2   0.100659D+01 -0.277711D+00  0.162103D+00  0.154972D+00  0.314345D+00
      3   0.534432D+00  0.162103D+00 -0.540380D+00  0.105945D+01  0.405789D-01
                81            82            83            84            85 
      1   0.105945D+01 -0.506115D+01  0.262636D+01  0.473476D-01 -0.620236D+01
      2   0.405789D-01  0.262636D+01  0.256216D+01  0.245750D+00  0.239845D+00
      3  -0.766468D+00  0.473476D-01  0.245750D+00  0.120479D+01 -0.370621D+00
                86            87            88            89            90 
      1   0.239845D+00 -0.370621D+00 -0.108733D+01 -0.554614D+00  0.103439D+01
      2  -0.154508D+01  0.780108D+00 -0.554614D+00  0.107081D+01 -0.360305D+01
      3   0.780108D+00 -0.171196D+01  0.103439D+01 -0.360305D+01 -0.221872D+01
                91            92            93            94            95 
      1   0.217544D+01 -0.717731D+00  0.966578D-01 -0.567260D+01  0.784281D+00
      2  -0.717731D+00 -0.317562D+01 -0.730024D+00  0.784281D+00 -0.587705D+00
      3   0.966578D-01 -0.730024D+00 -0.166494D+01  0.579594D+00  0.115744D+01
                96            97            98            99           100 
      1   0.579594D+00 -0.120984D+01  0.627393D+00 -0.300248D+01 -0.566861D+01
      2   0.115744D+01  0.627393D+00  0.144165D+01 -0.325372D+01  0.174520D+00
      3  -0.177389D+01 -0.300248D+01 -0.325372D+01 -0.152858D+01 -0.257020D+00
               101           102           103           104           105 
      1   0.174520D+00 -0.257020D+00  0.763186D+00  0.576525D+00  0.142470D+01
      2  -0.329117D+01 -0.734204D-01  0.576525D+00 -0.180769D+00 -0.548208D+00
      3  -0.734204D-01 -0.291076D+01  0.142470D+01 -0.548208D+00  0.202733D+00
               106           107           108           109           110 
      1   0.900099D-01  0.120654D+01 -0.532968D+01  0.418730D+01 -0.603203D+00
      2   0.120654D+01 -0.157063D+00  0.483443D+00 -0.603203D+00 -0.214634D+01
      3  -0.532968D+01  0.483443D+00  0.561131D+00 -0.160688D+00  0.678010D-01
               111           112           113           114           115 
      1  -0.160688D+00  0.514731D+01 -0.286201D+00  0.283001D+00  0.112968D+01
      2   0.678010D-01 -0.286201D+00  0.137982D+01 -0.938291D+00  0.451673D+00
      3  -0.870029D+00  0.283001D+00 -0.938291D+00  0.205693D+01 -0.179051D+01
               116           117           118           119           120 
      1   0.451673D+00 -0.179051D+01 -0.408198D+01 -0.484874D+00 -0.114257D+00
      2  -0.117688D+01  0.384024D+01 -0.484874D+00  0.351485D+01  0.488887D+00
      3   0.384024D+01  0.233916D+01 -0.114257D+00  0.488887D+00  0.184436D+01
               121           122           123           124           125 
      1   0.821723D+01  0.885683D-01  0.249991D+00  0.176373D+01 -0.314483D-01
      2   0.885683D-01  0.120611D+01 -0.536883D+00 -0.314483D-01 -0.113946D+01
      3   0.249991D+00 -0.536883D+00  0.144501D+01  0.193474D+01  0.306805D+01
               126           127           128           129           130 
      1   0.193474D+01  0.159801D+01 -0.173723D+01 -0.380191D+00 -0.162497D+01
      2   0.306805D+01 -0.173723D+01  0.228751D+01  0.444626D+00  0.196865D+01
      3   0.139475D+01 -0.380191D+00  0.444626D+00  0.333112D+00  0.430272D+00
               131           132           133           134           135 
      1   0.196865D+01  0.430272D+00 -0.426692D+00  0.482146D+00  0.627876D-03
      2  -0.864449D+01 -0.148932D+01  0.482146D+00 -0.158064D+01 -0.436796D+00
      3  -0.148932D+01 -0.125316D+01  0.627876D-03 -0.436796D+00 -0.250123D+00
               136           137           138           139           140 
      1  -0.500443D+01 -0.381258D+01 -0.632286D+00 -0.379405D+01 -0.437790D+01
      2  -0.381258D+01 -0.357665D+01 -0.472739D+00 -0.437790D+01 -0.654334D+01
      3  -0.632286D+00 -0.472739D+00 -0.723063D+00 -0.763053D+00 -0.981418D+00
               141           142           143           144           145 
      1  -0.763053D+00 -0.638415D+00 -0.717920D+00 -0.204596D+00 -0.130107D+02
      2  -0.981418D+00 -0.717920D+00 -0.119485D+01 -0.231947D+00  0.131495D+01
      3  -0.100495D+01 -0.204596D+00 -0.231947D+00 -0.201920D+00  0.586713D+00
               146           147           148           149           150 
      1   0.131495D+01  0.586713D+00  0.135413D+01 -0.166417D+01 -0.360749D+00
      2  -0.100811D+01 -0.292085D-01 -0.166417D+01  0.485068D+00  0.963767D-01
      3  -0.292085D-01 -0.105197D+01 -0.360749D+00  0.963767D-01  0.161686D+00
               151           152           153           154           155 
      1   0.503793D+00 -0.364489D+00 -0.765456D-01 -0.225312D+01  0.254822D+01
      2  -0.364489D+00  0.103402D+00  0.295769D-01  0.254822D+01 -0.278501D+01
      3  -0.765456D-01  0.295769D-01  0.976555D-01  0.551914D+00 -0.521651D+00
               156           157           158           159           160 
      1   0.551914D+00  0.237364D+01 -0.368154D+01 -0.751970D+00  0.517650D+00
      2  -0.521651D+00 -0.368154D+01  0.925706D+01  0.169213D+01 -0.758152D+00
      3  -0.503090D+00 -0.751970D+00  0.169213D+01  0.130283D+01 -0.199389D+00
               161           162           163           164           165 
      1  -0.758152D+00 -0.199389D+00  0.370467D+01  0.227951D+01  0.450627D-01
      2   0.180639D+01  0.382405D+00  0.227951D+01  0.244428D+01  0.247353D+00
      3   0.382405D+00  0.259817D+00  0.450627D-01  0.247353D+00  0.409237D+00
               166           167           168           169           170 
      1   0.273141D+01  0.281070D+01  0.419551D+00 -0.279040D-01  0.408926D+00
      2   0.281070D+01  0.568839D+01  0.750716D+00  0.408926D+00  0.946275D+00
      3   0.419551D+00  0.750716D+00  0.919949D+00 -0.935942D-01  0.197876D+00
               171 
      1  -0.935942D-01
      2   0.197876D+00
      3   0.909537D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.547257D+00  0.427008D+01  0.111820D+01  0.624219D+00 -0.569051D+01
      2   0.130632D+01  0.327304D+00  0.127153D+02  0.326909D+01 -0.232386D+01
      3  -0.112213D+01 -0.903370D+01 -0.127653D+01 -0.374718D+01  0.638640D+01
                 6             7             8             9            10 
      1  -0.788796D+01  0.243018D+01  0.343712D+00 -0.168854D+00  0.897277D-01
      2  -0.768092D+01  0.545213D+01 -0.796135D+01  0.422037D+01 -0.226851D+00
      3   0.187315D+01 -0.372940D+01  0.263561D+01  0.572922D+01  0.464638D+01
                11            12            13            14            15 
      1   0.335610D+00  0.405537D+00  0.886949D+00  0.113554D+01 -0.328119D+01
      2   0.119124D+01 -0.370844D+01  0.104560D+01  0.573586D+01  0.956669D+00
      3   0.315124D+01 -0.592606D+00  0.118951D+02 -0.743861D+01 -0.788502D+01
                16            17            18            19            20 
      1  -0.169852D+01  0.298940D+00 -0.122646D+01  0.202628D+01 -0.219566D+01
      2  -0.138115D+02  0.538526D+01 -0.473963D+01  0.408603D+01 -0.188607D+01
      3   0.626362D+00 -0.937228D+01 -0.203538D+01 -0.245158D+01  0.237624D+01
                21            22            23            24            25 
      1  -0.784110D+00 -0.138881D+01  0.601291D+01  0.344424D+01 -0.358594D+00
      2  -0.291275D+01 -0.351604D+01  0.476839D+01  0.766823D+01 -0.186985D+01
      3   0.100122D+01  0.368997D+01 -0.473198D+01 -0.451575D+01  0.177861D+00
                26            27            28            29            30 
      1   0.482084D+01  0.454683D+01  0.423465D-01 -0.595151D+00  0.732737D+00
      2   0.346069D+01  0.905505D+01 -0.168032D+01  0.293156D+00  0.202968D+01
      3  -0.360112D+01 -0.388063D+01  0.333958D+01 -0.309134D+01 -0.147431D+00
                31            32            33            34            35 
      1  -0.939075D-01  0.141475D+01 -0.275850D+01  0.860995D+00  0.133582D+01
      2  -0.578699D+00 -0.328147D+01 -0.391241D+01 -0.376891D-01 -0.294191D+01
      3   0.174679D+01  0.118273D+02  0.374985D+01  0.101110D+01  0.493062D+01
                36            37            38            39            40 
      1  -0.748351D+00 -0.240707D+01 -0.167628D+01 -0.140240D+01  0.810063D-01
      2  -0.225488D+01 -0.703943D+01 -0.723334D+00  0.111241D+02  0.120049D+00
      3   0.277692D+01 -0.140304D+02 -0.623987D+01  0.365809D+01 -0.447039D+00
                41            42            43            44            45 
      1   0.580133D+01  0.193452D+01  0.558985D+00  0.639525D+01 -0.511372D+01
      2  -0.641468D+01 -0.282234D+01  0.256828D+01 -0.416512D+01  0.175249D+02
      3   0.126373D+02  0.826440D+01  0.289022D+01  0.824085D+01  0.402396D+01
                46            47            48            49            50 
      1   0.539098D+00  0.274033D+00  0.294590D+00  0.854786D+00 -0.220551D+01
      2   0.214531D+01 -0.135586D+01 -0.104481D+01 -0.100141D+01 -0.828346D+00
      3  -0.172211D+01  0.520222D+01  0.778647D+00  0.168298D+02 -0.169153D+01
                51            52            53            54            55 
      1   0.134837D+01  0.995007D+00  0.103833D+02  0.199422D+01 -0.136021D+01
      2   0.330901D+00 -0.164847D+02 -0.294330D+00 -0.107332D+01  0.145675D+01
      3   0.235079D+01 -0.611358D-01  0.865439D+00 -0.753115D+00 -0.346182D+01
                56            57            58            59            60 
      1  -0.315282D-01  0.424079D+00  0.121311D+00 -0.780941D+01 -0.545840D+01
      2   0.777632D+00 -0.418596D+00  0.455752D+00  0.361323D+01  0.484144D+01
      3   0.735758D+00  0.382394D+00  0.352836D+01 -0.177453D+02 -0.423549D+01
                61            62            63            64            65 
      1  -0.427444D-01 -0.185464D+01 -0.240458D+01  0.729515D+00  0.124922D+01
      2  -0.119435D+01  0.311305D+01  0.171591D+01 -0.368296D+01  0.563259D+00
      3   0.167632D+01 -0.648065D+01 -0.404019D+01 -0.305856D-01  0.936138D+00
                66            67            68            69            70 
      1   0.135615D+01  0.531912D+00 -0.413889D+00 -0.684559D+00  0.661604D+00
      2  -0.552540D+01 -0.160889D+00 -0.202085D+01  0.169038D+01 -0.480164D+01
      3  -0.140424D+01  0.152159D+01 -0.181507D+01  0.196780D+01 -0.137348D+01
                71            72            73            74            75 
      1   0.298816D+01  0.519053D+01  0.141474D+01 -0.175981D+01 -0.714686D+00
      2   0.301168D+01 -0.221893D+02  0.767257D+01 -0.591381D+00  0.534376D+01
      3   0.305443D+01 -0.404401D+01  0.927552D+01 -0.721945D+01 -0.816430D+00
                76            77            78            79            80 
      1  -0.109132D+01  0.193001D+00 -0.822755D+00 -0.596870D+00  0.242106D+00
      2  -0.704233D+00  0.141271D+01 -0.141827D+01  0.114695D+01  0.152183D+00
      3  -0.306705D+01  0.113091D+01 -0.785380D+00 -0.843266D+00 -0.841111D+00
                81            82            83            84            85 
      1   0.141173D+00 -0.817558D+00 -0.873015D+00  0.177476D+01 -0.121903D+01
      2  -0.133627D+01 -0.277915D+01  0.148241D+01 -0.116088D+01  0.138259D+01
      3   0.274394D+00  0.496062D+01 -0.421218D+01 -0.148157D+01  0.351150D+01
                86            87            88            89            90 
      1   0.375591D+00 -0.258183D+01  0.416343D+01  0.740669D+00 -0.504444D+00
      2   0.970690D+00  0.152088D+01 -0.126686D+02  0.177192D+01  0.205914D+01
      3  -0.582138D+01 -0.667718D+00 -0.169068D+01  0.759711D-01 -0.504657D+01
                91            92            93            94            95 
      1  -0.261851D-01  0.376368D+00 -0.240889D+01  0.117716D+01 -0.929113D-01
      2   0.103434D+01  0.129990D+01  0.237306D+01 -0.110530D+01 -0.273662D+01
      3  -0.339113D+01 -0.974303D+01 -0.168646D+01  0.648109D+01 -0.119330D+01
                96            97            98            99           100 
      1  -0.199676D+01 -0.663252D+01  0.393373D+01  0.836299D+00  0.113654D+00
      2   0.546395D+01 -0.335084D+01  0.961578D+01  0.408071D+01 -0.864653D+00
      3   0.203150D+01  0.879369D+00  0.287733D+01 -0.420057D+01  0.238394D+01
               101           102           103           104           105 
      1   0.176425D+00  0.103875D+01 -0.182888D-01 -0.308625D+01  0.230495D+01
      2  -0.387632D+00  0.755312D+01 -0.419677D+01 -0.182194D+00 -0.127313D+01
      3  -0.668396D+01  0.213483D+00  0.115383D+02  0.178090D+01 -0.536527D+00
               106           107           108           109           110 
      1   0.225023D+01  0.109248D+02  0.269577D+01  0.608407D+00 -0.193104D+00
      2   0.739003D+01 -0.214511D+01 -0.166503D+01  0.170228D+01  0.271723D+01
      3   0.362911D+01 -0.589151D+00  0.751865D+00 -0.269855D+01 -0.129575D+02
               111           112           113           114           115 
      1   0.197959D+01 -0.995057D+00  0.443189D+00 -0.331060D+01  0.489134D+01
      2   0.555537D+00  0.125096D+01  0.288730D+01 -0.492884D+01 -0.804122D+01
      3  -0.240264D+01  0.402070D+01  0.890774D+00 -0.199218D+01 -0.188163D+00
               116           117           118           119           120 
      1   0.850944D+00 -0.100131D+01 -0.127929D+01 -0.729810D-01 -0.316462D+01
      2  -0.909987D+01 -0.380945D+01 -0.173889D+01  0.275352D+00 -0.157041D+01
      3  -0.242420D+01  0.479446D+01 -0.475413D+00  0.323013D+00  0.740769D+00
               121           122           123           124           125 
      1   0.747307D+00 -0.518027D+00 -0.173454D+01 -0.686795D+01  0.297382D+01
      2   0.343860D+01 -0.835832D+00 -0.924874D+00 -0.121066D+02 -0.427928D+00
      3   0.118684D+01  0.572941D+01 -0.343607D+00 -0.175147D+01  0.166667D+00
               126           127           128           129           130 
      1  -0.145898D+00  0.166352D-01 -0.268821D+00  0.156476D+01  0.196458D-01
      2  -0.650854D+00  0.129666D+01 -0.850871D+00  0.141226D+00 -0.122718D+01
      3   0.565749D+01 -0.602848D+01  0.348728D+01  0.936476D+00  0.700069D+01
               131           132           133           134           135 
      1   0.777764D+00 -0.432713D+01 -0.399301D+00  0.218658D+01 -0.335626D+00
      2   0.182011D+01 -0.162948D+00 -0.185550D+01  0.458330D+00 -0.958266D-01
      3  -0.858911D+01 -0.192603D+01  0.127876D+01 -0.152367D+01 -0.261664D+00
               136           137           138           139           140 
      1   0.192644D+00  0.579037D+00 -0.235979D+01 -0.958374D-01  0.454195D+00
      2  -0.676056D-01  0.848712D-01  0.306141D+01  0.680012D+00  0.128841D+01
      3  -0.147672D+01 -0.508709D+01 -0.272887D+00 -0.328588D+01 -0.108819D+02
               141           142           143           144           145 
      1  -0.338344D+01  0.836149D+00  0.165567D+01 -0.395524D+00 -0.103494D+00
      2   0.367400D+01 -0.934531D+00 -0.401159D+00  0.492638D+00 -0.870871D+00
      3  -0.128122D+01 -0.708647D+00 -0.209774D+01 -0.214082D+00  0.541439D+00
               146           147           148           149           150 
      1  -0.215124D+00  0.695370D+00  0.661974D-01 -0.348733D-01 -0.436696D+00
      2  -0.893176D-01  0.656284D+01  0.136661D+01 -0.284071D+00 -0.933401D+00
      3  -0.563827D+01  0.170649D+00 -0.351593D+01  0.145792D+01  0.219268D+00
               151           152           153           154           155 
      1  -0.386393D+00  0.582410D+00  0.979809D-02 -0.167877D+00 -0.143867D+00
      2  -0.271412D+01  0.160085D+00 -0.311396D+00 -0.293777D+00  0.432287D+00
      3  -0.144020D+01  0.525978D+00 -0.270969D-01  0.711058D+00 -0.270718D+01
               156           157           158           159           160 
      1   0.171696D+01  0.259323D+00  0.333177D+00 -0.460524D+01 -0.588241D+00
      2   0.161101D+01  0.445116D+00 -0.237163D+01 -0.337059D+01 -0.594930D+00
      3  -0.299010D+00 -0.102438D+01  0.134483D+02  0.217141D+01 -0.244833D+00
               161           162           163           164           165 
      1   0.198476D+01 -0.561701D+00  0.935891D+00  0.764557D+00 -0.226699D+01
      2   0.544506D-01 -0.596174D+00 -0.218895D+01 -0.830924D+00  0.826120D+00
      3   0.269587D+01  0.484283D+00  0.105086D+02  0.363116D+01 -0.229363D+00
               166           167           168           169           170 
      1   0.265634D+00  0.180667D+00 -0.331842D+01  0.444994D+00  0.198370D+01
      2  -0.963849D+00 -0.121714D+01  0.128129D+01 -0.182582D+01 -0.268984D+00
      3   0.787126D+01  0.514120D+01  0.807116D+00 -0.137852D+00  0.861157D+00
               171 
      1  -0.807171D-01
      2   0.306997D+00
      3   0.107258D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.209555D+02 -0.251138D+01  0.165820D+01 -0.471192D+01  0.423862D+01
      2  -0.140615D+02 -0.535393D+00 -0.664904D+01  0.169582D+01  0.466749D+01
      3  -0.689397D+01  0.304677D+01  0.499084D+01  0.301610D+01 -0.890611D+01
      4  -0.470941D+01  0.148261D+02 -0.292460D+01  0.164560D+02 -0.153496D+02
      5   0.146040D+02 -0.331324D+01  0.219517D+02 -0.835012D+01  0.281367D+01
      6  -0.394974D+01  0.564275D+01 -0.121064D+01  0.471998D+01 -0.102904D+02
                 6             7             8             9            10 
      1   0.802243D+01  0.429012D+01  0.559464D+01 -0.998412D-01  0.653058D+01
      2   0.405605D+01 -0.128673D+02  0.330658D+01 -0.113575D+02 -0.297516D+01
      3  -0.120785D+02  0.857716D+01 -0.890122D+01  0.114573D+02 -0.355542D+01
      4   0.843645D+00 -0.550732D+01 -0.237765D+01 -0.144644D+02 -0.224912D+01
      5  -0.129343D+02  0.298020D+02 -0.122476D+02  0.198194D+02 -0.470815D+01
      6   0.307768D+01 -0.429208D+01  0.736420D+01 -0.128517D+02  0.369304D+01
                11            12            13            14            15 
      1  -0.300958D+01  0.141508D+01 -0.967136D+01  0.907980D+00  0.582325D+01
      2   0.116012D+01  0.880684D+00  0.720085D+01 -0.628759D+01 -0.100946D+02
      3   0.184945D+01 -0.229577D+01  0.247051D+01  0.537961D+01  0.427133D+01
      4  -0.128455D+02  0.625696D+01 -0.128376D+02  0.180483D+02  0.153247D+02
      5   0.641832D+01 -0.164930D+02  0.128666D+02  0.147422D+02 -0.276560D+00
      6   0.174297D+01  0.511181D+00  0.590657D+01 -0.551194D+01 -0.504963D+01
                16            17            18            19            20 
      1  -0.359668D+01  0.474738D+01 -0.560447D+01 -0.790367D+00  0.186873D+01
      2   0.995884D+01 -0.491051D+01  0.657716D+01  0.291463D+00  0.378558D+00
      3  -0.636216D+01  0.163128D+00 -0.972689D+00  0.498904D+00 -0.224729D+01
      4   0.124283D+02  0.150936D+02  0.730758D+01  0.125933D+01 -0.343919D+01
      5  -0.343990D+02  0.635146D+01 -0.848588D+01  0.557148D+00 -0.572407D+00
      6   0.362123D+01 -0.112345D+02  0.517182D+01  0.127092D+01 -0.212290D+01
                21            22            23            24            25 
      1   0.552348D+01  0.551553D+01 -0.601341D+01 -0.640861D+01  0.509906D+01
      2   0.723007D+00 -0.334073D+01 -0.357161D+00 -0.391233D+01 -0.282097D+01
      3  -0.624648D+01 -0.217480D+01  0.637057D+01  0.103209D+02 -0.227809D+01
      4  -0.170136D+01 -0.839644D-01  0.889219D+01  0.720484D+01 -0.131767D+01
      5  -0.313278D+01  0.386292D+01  0.548881D+01  0.110296D+02  0.530501D+01
      6  -0.117568D+01 -0.484744D+00  0.696717D+01  0.780594D+01 -0.809465D+00
                26            27            28            29            30 
      1  -0.363550D+01 -0.893085D+01  0.276214D+01 -0.316839D+01 -0.170108D+01
      2  -0.277770D+01 -0.642013D+01  0.139858D+01  0.317848D+00  0.461681D+00
      3   0.641321D+01  0.153510D+02 -0.416072D+01  0.285055D+01  0.123940D+01
      4   0.712510D+01  0.535267D+01 -0.735232D+01  0.107717D+02  0.212263D+01
      5   0.410264D+01  0.131437D+02 -0.351054D+01  0.201367D+01  0.578396D+01
      6   0.648090D+01  0.438060D+01  0.272786D+01 -0.186232D+01 -0.679601D+00
                31            32            33            34            35 
      1  -0.267760D+01 -0.987569D+01 -0.318914D+01 -0.153868D+01 -0.410479D+01
      2  -0.165121D+01  0.189822D+02  0.495618D+01  0.154658D+00  0.352396D+01
      3   0.432881D+01 -0.910649D+01 -0.176704D+01  0.138402D+01  0.580830D+00
      4   0.127069D+02 -0.267448D+02 -0.821395D+01  0.298113D+01 -0.998965D+01
      5   0.304142D+01 -0.735812D+01 -0.772320D+01  0.706275D+01 -0.632120D+01
      6  -0.299977D+01  0.105641D+02  0.786303D+01 -0.246618D+01  0.920561D+01
                36            37            38            39            40 
      1  -0.352953D+01 -0.521294D+02  0.697984D+01  0.103416D+02  0.169531D+02
      2   0.102918D+01  0.308326D+02 -0.238584D+01  0.979107D+00 -0.101902D+02
      3   0.250036D+01  0.212969D+02 -0.459399D+01 -0.113207D+02 -0.676294D+01
      4  -0.717137D+01  0.862663D+01  0.105521D+02 -0.489337D+01  0.991015D+01
      5  -0.587609D+01  0.114846D+02 -0.730466D+01  0.152699D+02 -0.123416D+02
      6   0.640154D+01 -0.533445D+01 -0.398279D+01  0.570173D+01 -0.492380D+01
                41            42            43            44            45 
      1   0.747959D+01 -0.381807D+01  0.364434D+00 -0.241435D+01  0.240112D+02
      2  -0.147324D+02 -0.323627D+01  0.165985D+01 -0.657441D+01  0.939538D+00
      3   0.725277D+01  0.705434D+01 -0.202428D+01  0.898876D+01 -0.249507D+02
      4  -0.161410D+02 -0.162617D+02 -0.841969D+01 -0.157168D+02  0.839654D+00
      5  -0.173288D+02  0.575034D+00  0.141350D+02 -0.189406D+01  0.142905D+02
      6  -0.233296D+01  0.494826D+01  0.385442D+01  0.353093D+01  0.344671D+01
                46            47            48            49            50 
      1  -0.169131D+02  0.391004D+01  0.198671D+01  0.106466D+01 -0.786043D+01
      2   0.341175D+01 -0.300006D+01 -0.133773D+01  0.351699D+01  0.143626D+02
      3   0.135014D+02 -0.909984D+00 -0.648978D+00 -0.458165D+01 -0.650221D+01
      4  -0.194082D+01  0.431824D+01 -0.595006D+00 -0.872119D+01  0.121101D+01
      5   0.826219D+01 -0.791518D+00  0.373509D+01 -0.633156D+01 -0.150532D+01
      6  -0.351050D+01  0.111521D+00 -0.258912D+01  0.168084D+01  0.421804D+01
                51            52            53            54            55 
      1  -0.884108D+00  0.166560D+01 -0.150948D+01 -0.703004D+01  0.509578D+01
      2   0.654477D+01  0.185630D+01  0.313291D+01 -0.353969D+01 -0.505772D+00
      3  -0.566066D+01 -0.352190D+01 -0.162343D+01  0.105697D+02 -0.459001D+01
      4  -0.187023D+01 -0.443613D+01 -0.128167D+01 -0.388066D+00  0.223791D+01
      5   0.134004D+00  0.725859D+01 -0.429136D+00  0.546796D+00  0.719762D+00
      6  -0.181244D+01 -0.110535D+01  0.561468D+01 -0.263874D+01  0.109182D+01
                56            57            58            59            60 
      1   0.295392D+01 -0.240586D+00  0.679405D+01 -0.977945D+01 -0.867567D+00
      2  -0.113038D+01 -0.415012D+00 -0.155486D+01  0.255472D+02  0.595548D+01
      3  -0.182355D+01  0.655599D+00 -0.523919D+01 -0.157678D+02 -0.508791D+01
      4   0.236218D+01  0.196553D+01  0.100369D+02  0.316995D+02  0.528879D+01
      5   0.983780D+00 -0.122400D+01 -0.197201D+01  0.612755D+01  0.917904D+01
      6   0.414625D+00 -0.115533D+01 -0.101897D+01 -0.378372D+01  0.458745D+01
                61            62            63            64            65 
      1   0.459500D+01 -0.440594D+00 -0.449121D+01 -0.447787D+00  0.901198D+00
      2  -0.198333D+01  0.585549D+01  0.300551D+01 -0.275007D+01 -0.513490D+00
      3  -0.261167D+01 -0.541490D+01  0.148570D+01  0.319786D+01 -0.387708D+00
      4   0.537037D+01  0.114138D+02  0.523657D+01 -0.140877D+01 -0.161624D+01
      5  -0.485152D-01  0.589175D+01  0.410247D+01 -0.117315D+01  0.103172D+01
      6   0.186142D-02  0.353597D+01  0.270237D+01 -0.642630D+00  0.247211D+01
                66            67            68            69            70 
      1  -0.104775D+02 -0.127462D+01 -0.497458D+01  0.278602D+01 -0.908379D+01
      2  -0.917276D+00  0.921879D+00  0.216594D+01 -0.113016D+01  0.481414D+01
      3   0.113948D+02  0.352739D+00  0.280865D+01 -0.165587D+01  0.426965D+01
      4  -0.400828D+00  0.124453D+01  0.298656D+01 -0.310956D+01 -0.348363D+01
      5  -0.286247D+01  0.731224D+00 -0.243573D+01  0.224766D+01  0.828869D+01
      6  -0.279827D+01  0.366517D+00 -0.222460D+01  0.768601D+01  0.907301D-01
                71            72            73            74            75 
      1   0.396444D+01 -0.265441D+02  0.856064D+02 -0.454971D+01 -0.710860D+01
      2  -0.309511D+00 -0.144241D+02 -0.474627D+02  0.367073D+01  0.672965D+01
      3  -0.365493D+01  0.409682D+02 -0.381436D+02  0.878978D+00  0.378947D+00
      4  -0.556159D+01  0.308368D+01  0.395364D+01  0.109213D+02 -0.492062D+00
      5   0.518419D+01 -0.342202D+02 -0.249853D+02  0.931067D+00  0.137741D+02
      6   0.793249D+01 -0.124284D+02  0.968370D+00 -0.294330D+01  0.106012D+01
                76            77            78            79            80 
      1  -0.153502D+02  0.636648D+01  0.142397D+01  0.496666D+00  0.306122D+00
      2   0.906863D+01 -0.136858D+01 -0.126318D+01  0.174280D+01  0.442190D+00
      3   0.628153D+01 -0.499791D+01 -0.160794D+00 -0.223946D+01 -0.748312D+00
      4   0.924065D+01 -0.236445D+01  0.559004D+00  0.598800D+00  0.128580D+01
      5   0.570196D+01 -0.600766D+00 -0.372139D+01  0.110907D+02 -0.352317D+00
      6  -0.241348D+01  0.127890D+01  0.860663D+00  0.458019D+00  0.105594D+01
                81            82            83            84            85 
      1   0.419541D+01  0.124736D+02  0.101368D+02  0.151119D+01 -0.893905D+00
      2  -0.492663D+01 -0.836616D+01 -0.708602D+01  0.136040D+01  0.870792D+01
      3   0.731218D+00 -0.410741D+01 -0.305078D+01 -0.287159D+01 -0.781401D+01
      4  -0.456455D-01  0.592726D+01 -0.174268D+02 -0.315577D+01  0.955532D+01
      5  -0.497836D+01 -0.252049D+01 -0.255718D+01 -0.502561D+01  0.177533D+00
      6  -0.624178D+00 -0.102156D+01  0.250554D+00 -0.409804D+01  0.464762D+01
                86            87            88            89            90 
      1   0.848493D+01  0.405517D+01 -0.174175D+01  0.369892D+01 -0.152231D+02
      2  -0.135714D+02 -0.580734D+01  0.361167D+01 -0.934667D+01  0.148648D+01
      3   0.508650D+01  0.175218D+01 -0.186992D+01  0.564775D+01  0.137366D+02
      4   0.144277D+02  0.199245D+01 -0.452432D+00  0.198167D+01  0.649565D+01
      5   0.210065D+01  0.853890D+00  0.402081D+01  0.570179D+01  0.298410D+01
      6  -0.807917D+01  0.469478D+01 -0.197083D+01  0.143340D+02  0.363342D+01
                91            92            93            94            95 
      1  -0.121381D+01 -0.228835D+02 -0.555783D+01  0.265207D+02  0.425167D+01
      2  -0.175301D+01  0.144881D+02  0.124825D+00 -0.253185D+02 -0.747920D+01
      3   0.296682D+01  0.839546D+01  0.543300D+01 -0.120214D+01  0.322753D+01
      4  -0.148482D+02  0.304975D+01  0.124984D+01  0.626720D+00 -0.105050D+02
      5  -0.416471D-01  0.482596D-01  0.494247D+01 -0.516111D+01 -0.731371D+01
      6  -0.449080D-02  0.166637D+01  0.633602D+01 -0.673429D+01 -0.629855D+01
                96            97            98            99           100 
      1   0.894569D+00  0.587540D+01  0.192819D+01  0.182711D+01 -0.123397D+02
      2  -0.126349D+01 -0.863924D+01 -0.617181D+01 -0.887237D+01  0.774980D+01
      3   0.368925D+00  0.276385D+01  0.424361D+01  0.704526D+01  0.458990D+01
      4  -0.834349D+01 -0.305470D+01 -0.809599D+01  0.142912D+02  0.262097D+01
      5   0.114162D+02  0.198149D+02  0.145032D+02  0.885874D+01  0.216511D+01
      6   0.392060D+01  0.664921D+01  0.120709D+02  0.156540D+00  0.922113D+00
               101           102           103           104           105 
      1   0.483956D+01  0.297702D+01 -0.857772D+01 -0.202385D+02 -0.719398D+01
      2  -0.343464D+01 -0.975739D+00  0.784702D+01  0.182829D+02  0.915709D+01
      3  -0.140492D+01 -0.200128D+01  0.730694D+00  0.195560D+01 -0.196310D+01
      4   0.220698D+02  0.643103D+00 -0.190861D+02  0.345163D+01  0.334218D+01
      5   0.413592D+00  0.176376D+02 -0.104890D+02  0.892102D+00 -0.217508D+01
      6   0.148156D+00 -0.234738D+01  0.295752D+01  0.447270D+01 -0.407916D+01
               106           107           108           109           110 
      1   0.784467D+00 -0.700955D+01  0.140303D+02  0.945773D+01  0.204251D+02
      2   0.141747D+01  0.536458D+01 -0.168239D+02 -0.884857D+01 -0.131783D+02
      3  -0.220194D+01  0.164497D+01  0.279355D+01 -0.609157D+00 -0.724683D+01
      4  -0.113778D+02  0.177769D+01 -0.312866D+01  0.151823D+02 -0.565844D+01
      5   0.354554D+02 -0.312326D+01 -0.302905D+01  0.403396D+01 -0.682073D+00
      6  -0.212177D+01  0.620673D+01 -0.401839D+01 -0.395581D+01 -0.161678D+00
               111           112           113           114           115 
      1   0.321552D+01 -0.205231D+02  0.110543D+02  0.328409D+01 -0.388351D+01
      2  -0.319782D+00  0.187923D+02 -0.154420D+02 -0.592448D+01  0.619522D+01
      3  -0.289573D+01  0.173076D+01  0.438768D+01  0.264039D+01 -0.231171D+01
      4  -0.228195D+01  0.112595D+02  0.385551D+01  0.581156D+01 -0.127127D+01
      5  -0.183072D+01 -0.340483D+00  0.627471D+01 -0.106154D+02  0.133686D+02
      6  -0.446225D+01  0.440011D+01 -0.958760D+01  0.617747D+01 -0.586575D+01
               116           117           118           119           120 
      1   0.159680D+01 -0.615560D+01 -0.887034D+00 -0.172815D+02 -0.378351D+01
      2  -0.828819D+01 -0.419507D+01 -0.187951D+00  0.125408D+02 -0.427104D+00
      3   0.669139D+01  0.103507D+02  0.107498D+01  0.474078D+01  0.421062D+01
      4   0.792000D+01 -0.144592D+02 -0.107975D+02 -0.112084D+02 -0.549538D+00
      5  -0.146155D+02 -0.789196D+01 -0.326849D+01 -0.130867D+01 -0.287439D+01
      6   0.153360D+02  0.317310D+01  0.195481D+01  0.424515D+00  0.701862D+01
               121           122           123           124           125 
      1   0.453515D+01  0.237065D+01  0.304146D+01  0.192687D+00  0.395127D+01
      2  -0.136710D+02 -0.526884D+01 -0.301027D+01 -0.569590D+01 -0.612738D+01
      3   0.913587D+01  0.289819D+01 -0.311896D-01  0.550321D+01  0.217611D+01
      4   0.393930D+01 -0.135593D+02 -0.228096D+01  0.214914D+01 -0.146367D+01
      5   0.323752D+01 -0.216220D+01  0.147247D+01  0.194317D+01 -0.178219D+01
      6  -0.653011D+01 -0.459011D+01  0.371328D+01  0.518328D+01  0.108699D+02
               126           127           128           129           130 
      1  -0.145096D+02 -0.510622D+01  0.894382D+01  0.199747D+01  0.746743D+01
      2   0.153095D+01  0.652785D+01 -0.109609D+02 -0.151295D+01 -0.899679D+01
      3   0.129787D+02 -0.142163D+01  0.201710D+01 -0.484521D+00  0.152936D+01
      4  -0.283178D+01 -0.386997D+01  0.720084D+01  0.116908D+01  0.542265D+01
      5   0.285270D+00 -0.868428D+00  0.116454D+01  0.153288D+01  0.100595D+01
      6   0.473308D+00  0.198450D+01 -0.269585D+01 -0.236991D+01 -0.233456D+01
               131           132           133           134           135 
      1  -0.332285D+02 -0.638461D+01  0.151107D+01 -0.604573D+01 -0.262690D+01
      2   0.440995D+02  0.571434D+01 -0.188062D+01  0.734647D+01  0.297259D+01
      3  -0.108710D+02  0.670274D+00  0.369551D+00 -0.130074D+01 -0.345692D+00
      4   0.782772D+00  0.405094D+00  0.120562D+01  0.136527D+00 -0.115762D+01
      5   0.578710D+00  0.779977D-01  0.628875D+00 -0.426868D+00 -0.394366D+00
      6   0.103429D+02  0.839731D+01 -0.620276D+00  0.391109D+01  0.245437D+01
               136           137           138           139           140 
      1   0.223146D+02  0.134782D+02  0.227554D+01  0.955326D+01  0.325711D+01
      2  -0.456125D+01  0.991715D+00 -0.927259D+00  0.555069D+01  0.162780D+02
      3  -0.177534D+02 -0.144699D+02 -0.134828D+01 -0.151039D+02 -0.195351D+02
      4   0.326556D+02  0.299996D+02  0.393962D+01  0.331140D+02  0.430235D+02
      5   0.617364D+01  0.448069D+01  0.663901D+01  0.621913D+01  0.719141D+01
      6   0.244967D+01  0.215659D+01  0.343138D+01  0.385969D+01  0.545246D+01
               141           142           143           144           145 
      1   0.606878D+00  0.138012D+01  0.126004D+00  0.572610D-02  0.978396D+02
      2   0.623210D+00  0.867985D+00  0.242120D+01  0.873654D+00 -0.549423D+02
      3  -0.123009D+01 -0.224810D+01 -0.254720D+01 -0.879380D+00 -0.428973D+02
      4   0.628365D+01  0.552653D+01  0.686567D+01  0.290482D+01 -0.150504D+02
      5   0.639105D+01  0.257700D+01  0.248479D+01  0.157485D+01 -0.476166D+01
      6   0.627561D+01  0.176785D+01  0.258398D+01  0.179545D+01 -0.203345D+01
               146           147           148           149           150 
      1  -0.888167D+01 -0.379094D+01 -0.828657D+01  0.952209D+01  0.155749D+01
      2   0.424531D+01  0.254055D+01  0.354960D+01 -0.421645D+01 -0.131083D+01
      3   0.463636D+01  0.125039D+01  0.473696D+01 -0.530563D+01 -0.246654D+00
      4   0.106180D+02  0.346161D+00  0.158839D+02 -0.470250D+01 -0.960488D+00
      5   0.148993D+00  0.108424D+02  0.300013D+01 -0.886035D+00 -0.141989D+01
      6  -0.519545D-01 -0.802312D+00 -0.419478D+00 -0.129114D+00  0.163976D+01
               151           152           153           154           155 
      1  -0.408529D+01  0.159483D+01  0.291829D+01  0.535091D+01 -0.424423D+01
      2   0.219613D+01 -0.889637D+00 -0.185057D+01  0.337459D+01 -0.547417D+01
      3   0.188916D+01 -0.705189D+00 -0.106773D+01 -0.872550D+01  0.971840D+01
      4   0.315480D+01 -0.114513D+01 -0.645747D+00 -0.182219D+02  0.229084D+02
      5   0.234953D+01 -0.405990D+00 -0.929962D+00 -0.342513D+01  0.376032D+01
      6  -0.134534D+00  0.654583D+00  0.369793D+00  0.257812D+01 -0.288103D+01
               156           157           158           159           160 
      1  -0.876832D+00  0.447382D+00 -0.162433D+02 -0.307813D+01 -0.664418D-01
      2  -0.268951D+00 -0.110491D+02  0.381013D+02  0.464116D+01 -0.168710D+01
      3   0.114578D+01  0.106018D+02 -0.218580D+02 -0.156303D+01  0.175354D+01
      4   0.414071D+01  0.242198D+02 -0.463105D+02 -0.828484D+01  0.482115D+01
      5   0.445508D+01  0.430265D+01 -0.751924D+01 -0.607637D+01  0.196719D+01
      6  -0.273461D+01 -0.425387D+01  0.104036D+02  0.880445D+01 -0.179010D+01
               161           162           163           164           165 
      1  -0.282673D+01 -0.159362D+01 -0.326049D+01 -0.651560D+01 -0.131861D+01
      2   0.639710D+01  0.250766D+01  0.517854D+01  0.921029D+01  0.927761D+00
      3  -0.357037D+01 -0.914034D+00 -0.191805D+01 -0.269469D+01  0.390849D+00
      4  -0.911296D+01 -0.309670D+01  0.902867D+01  0.813711D+01  0.618896D+00
      5  -0.227495D+01 -0.175145D+01 -0.202688D+00  0.592848D+00  0.199208D+01
      6   0.391829D+01  0.269369D+01  0.811422D+00  0.167167D+01  0.236409D+01
               166           167           168           169           170 
      1  -0.758012D+01 -0.200800D+02 -0.330981D+01 -0.128165D+01 -0.316058D+01
      2   0.103123D+02  0.269571D+02  0.258206D+01  0.207619D+01  0.396666D+01
      3  -0.273218D+01 -0.687717D+01  0.727751D+00 -0.794544D+00 -0.806087D+00
      4   0.858675D+01  0.834206D+01  0.804044D+00  0.108483D+01  0.114525D+01
      5   0.838915D+00  0.900168D+00  0.156529D+01  0.853392D+00  0.696950D+00
      6   0.210900D+01  0.458634D+01  0.560239D+01  0.593405D+00  0.216883D+01
               171 
      1  -0.724813D+00
      2   0.141157D+01
      3  -0.686754D+00
      4   0.187732D+01
      5   0.486272D+00
      6   0.116672D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Aug 16 21:45:50 2021, MaxMem=  5637144576 cpu:           11355.3 elap:            1423.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.90742 -10.08131 -10.04225 -10.03757 -10.03719
 Alpha  occ. eigenvalues --  -10.03642 -10.03599 -10.03480 -10.01762  -1.09048
 Alpha  occ. eigenvalues --   -0.94871  -0.86603  -0.83782  -0.81372  -0.72901
 Alpha  occ. eigenvalues --   -0.69848  -0.67408  -0.62414  -0.57168  -0.56424
 Alpha  occ. eigenvalues --   -0.53676  -0.52700  -0.51149  -0.50802  -0.48847
 Alpha  occ. eigenvalues --   -0.46776  -0.45575  -0.44504  -0.42390  -0.40484
 Alpha  occ. eigenvalues --   -0.36111  -0.34942  -0.34026
 Alpha virt. eigenvalues --    0.02806   0.03622   0.03750   0.04058   0.04338
 Alpha virt. eigenvalues --    0.04935   0.05282   0.05473   0.06472   0.07238
 Alpha virt. eigenvalues --    0.07800   0.09993   0.10850   0.11548   0.11757
 Alpha virt. eigenvalues --    0.12718   0.12794   0.13120   0.13699   0.14410
 Alpha virt. eigenvalues --    0.14466   0.14763   0.14921   0.15154   0.15602
 Alpha virt. eigenvalues --    0.16154   0.16849   0.17156   0.17840   0.17890
 Alpha virt. eigenvalues --    0.18707   0.19522   0.19657   0.20112   0.20721
 Alpha virt. eigenvalues --    0.21935   0.22411   0.23643   0.24529   0.25385
 Alpha virt. eigenvalues --    0.26051   0.26601   0.27275   0.27693   0.28334
 Alpha virt. eigenvalues --    0.29063   0.29222   0.29907   0.30400   0.30946
 Alpha virt. eigenvalues --    0.31277   0.31607   0.32169   0.32788   0.33307
 Alpha virt. eigenvalues --    0.33855   0.34262   0.34884   0.35594   0.36379
 Alpha virt. eigenvalues --    0.37566   0.38447   0.38755   0.39291   0.39487
 Alpha virt. eigenvalues --    0.40498   0.41588   0.42347   0.43296   0.43576
 Alpha virt. eigenvalues --    0.44492   0.44724   0.45324   0.46716   0.47340
 Alpha virt. eigenvalues --    0.48211   0.49642   0.49968   0.50686   0.51142
 Alpha virt. eigenvalues --    0.52415   0.53419   0.53928   0.54248   0.54704
 Alpha virt. eigenvalues --    0.55747   0.56477   0.57196   0.57593   0.60006
 Alpha virt. eigenvalues --    0.60336   0.60810   0.61242   0.61893   0.62206
 Alpha virt. eigenvalues --    0.62893   0.63592   0.63912   0.65117   0.65679
 Alpha virt. eigenvalues --    0.66906   0.67032   0.67460   0.68536   0.69178
 Alpha virt. eigenvalues --    0.69979   0.70278   0.71064   0.71594   0.71857
 Alpha virt. eigenvalues --    0.72169   0.72609   0.72998   0.74617   0.75709
 Alpha virt. eigenvalues --    0.76462   0.77613   0.77998   0.79704   0.81182
 Alpha virt. eigenvalues --    0.81701   0.81982   0.83375   0.83967   0.84426
 Alpha virt. eigenvalues --    0.84896   0.85359   0.86394   0.87136   0.87498
 Alpha virt. eigenvalues --    0.88193   0.89860   0.90869   0.92599   0.93878
 Alpha virt. eigenvalues --    0.94971   0.95804   0.97426   0.99200   1.02382
 Alpha virt. eigenvalues --    1.03068   1.04295   1.05291   1.06614   1.07865
 Alpha virt. eigenvalues --    1.09717   1.11645   1.13169   1.13769   1.16248
 Alpha virt. eigenvalues --    1.18602   1.20752   1.21701   1.24493   1.27702
 Alpha virt. eigenvalues --    1.29460   1.34946   1.36317   1.37082   1.39469
 Alpha virt. eigenvalues --    1.39619   1.40476   1.42210   1.43483   1.43943
 Alpha virt. eigenvalues --    1.44652   1.46509   1.47908   1.48387   1.48961
 Alpha virt. eigenvalues --    1.51203   1.51350   1.54771   1.55923   1.56655
 Alpha virt. eigenvalues --    1.57457   1.58732   1.59456   1.61406   1.62389
 Alpha virt. eigenvalues --    1.63931   1.64934   1.66391   1.68135   1.70096
 Alpha virt. eigenvalues --    1.71456   1.72474   1.74253   1.75180   1.76160
 Alpha virt. eigenvalues --    1.77116   1.77862   1.79256   1.81419   1.81757
 Alpha virt. eigenvalues --    1.82680   1.84210   1.86901   1.87738   1.90168
 Alpha virt. eigenvalues --    1.91390   1.92491   1.93974   1.94278   1.95674
 Alpha virt. eigenvalues --    1.96422   1.98581   2.00028   2.02357   2.03832
 Alpha virt. eigenvalues --    2.06209   2.07393   2.08455   2.08710   2.10789
 Alpha virt. eigenvalues --    2.12816   2.14166   2.15374   2.16811   2.18498
 Alpha virt. eigenvalues --    2.19917   2.21631   2.21974   2.23854   2.26349
 Alpha virt. eigenvalues --    2.27407   2.28885   2.35063   2.36686   2.37439
 Alpha virt. eigenvalues --    2.41931   2.43462   2.48487   2.52762   2.55689
 Alpha virt. eigenvalues --    2.57377   2.57977   2.59692   2.61008   2.61975
 Alpha virt. eigenvalues --    2.65481   2.69593   2.75125   2.76503   2.77946
 Alpha virt. eigenvalues --    2.80168   2.85803   2.87802   2.91467   2.94872
 Alpha virt. eigenvalues --    3.01545   3.08611   3.11039   3.13948   3.33266
 Alpha virt. eigenvalues --    3.43004   3.49278   3.52492   3.55241   3.58724
 Alpha virt. eigenvalues --    3.63187   3.71294   4.03653   4.56659
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  O    8.349969  -0.172132   0.306264  -0.031986  -0.018912  -0.065352
     2  C   -0.172132  10.778713  -0.147771  -1.216966   0.289545  -0.281948
     3  H    0.306264  -0.147771   0.663859   0.033199  -0.026752   0.007306
     4  H   -0.031986  -1.216966   0.033199   2.414764   0.065800   0.261111
     5  C   -0.018912   0.289545  -0.026752   0.065800   4.648998   0.031427
     6  C   -0.065352  -0.281948   0.007306   0.261111   0.031427  18.515210
     7  H    0.029537  -0.148211   0.012108   0.079861   0.366308   0.083762
     8  H    0.022636   0.071383   0.001853  -0.087378   0.288031  -0.291794
     9  H   -0.024556   0.096999  -0.005336  -0.034030   0.159319   0.196551
    10  C    0.081744  -3.291600   0.016082   0.236976  -0.115101  -8.599304
    11  C   -0.006825   0.041602   0.009288  -0.029295   0.031062   2.586248
    12  C    0.010349  -0.093985  -0.002968   0.028040  -0.042927  -4.346624
    13  C   -0.015598  -0.030807   0.012340  -0.045378   0.090973   2.769926
    14  C    0.015428  -0.774979   0.023724   0.005430  -0.378996  -7.472220
    15  H    0.000185   0.284697   0.006305  -0.136094  -0.005303   0.855150
    16  H    0.000239   0.007204   0.000441  -0.001413   0.004342  -0.353846
    17  H    0.000126  -0.010672   0.000132   0.001565  -0.000113   0.148512
    18  H   -0.001183   0.035850  -0.001921   0.000389  -0.002203  -0.386754
    19  H   -0.024985   0.146096  -0.005158   0.015925   0.054157   0.484177
               7          8          9         10         11         12
     1  O    0.029537   0.022636  -0.024556   0.081744  -0.006825   0.010349
     2  C   -0.148211   0.071383   0.096999  -3.291600   0.041602  -0.093985
     3  H    0.012108   0.001853  -0.005336   0.016082   0.009288  -0.002968
     4  H    0.079861  -0.087378  -0.034030   0.236976  -0.029295   0.028040
     5  C    0.366308   0.288031   0.159319  -0.115101   0.031062  -0.042927
     6  C    0.083762  -0.291794   0.196551  -8.599304   2.586248  -4.346624
     7  H    1.461425  -0.129925  -0.392160   0.041604   0.009208  -0.009438
     8  H   -0.129925   1.570988  -0.270213  -0.005858  -0.005118   0.001578
     9  H   -0.392160  -0.270213   1.500832  -0.053807   0.000529  -0.001715
    10  C    0.041604  -0.005858  -0.053807  23.330303  -4.897112   4.224592
    11  C    0.009208  -0.005118   0.000529  -4.897112  13.314118  -4.663155
    12  C   -0.009438   0.001578  -0.001715   4.224592  -4.663155  11.680894
    13  C   -0.025624   0.011318   0.014249  -5.067590   4.370771  -4.507506
    14  C   -0.079585   0.019946  -0.032742   1.195900  -4.493192   3.754767
    15  H    0.001834   0.013204  -0.006040  -2.175240   0.485518  -0.271794
    16  H   -0.000216  -0.001318   0.000775   0.866695  -1.443658   0.628381
    17  H    0.000240   0.000234  -0.000060  -0.229383   0.650777  -1.364269
    18  H   -0.000545  -0.000992   0.000554   0.245460  -0.425534   0.609893
    19  H   -0.100208  -0.038555   0.015108  -0.330913   0.210572  -0.269886
              13         14         15         16         17         18
     1  O   -0.015598   0.015428   0.000185   0.000239   0.000126  -0.001183
     2  C   -0.030807  -0.774979   0.284697   0.007204  -0.010672   0.035850
     3  H    0.012340   0.023724   0.006305   0.000441   0.000132  -0.001921
     4  H   -0.045378   0.005430  -0.136094  -0.001413   0.001565   0.000389
     5  C    0.090973  -0.378996  -0.005303   0.004342  -0.000113  -0.002203
     6  C    2.769926  -7.472220   0.855150  -0.353846   0.148512  -0.386754
     7  H   -0.025624  -0.079585   0.001834  -0.000216   0.000240  -0.000545
     8  H    0.011318   0.019946   0.013204  -0.001318   0.000234  -0.000992
     9  H    0.014249  -0.032742  -0.006040   0.000775  -0.000060   0.000554
    10  C   -5.067590   1.195900  -2.175240   0.866695  -0.229383   0.245460
    11  C    4.370771  -4.493192   0.485518  -1.443658   0.650777  -0.425534
    12  C   -4.507506   3.754767  -0.271794   0.628381  -1.364269   0.609893
    13  C   14.229306  -5.378020   0.163512  -0.352808   0.639471  -1.610740
    14  C   -5.378020  19.751115  -0.112051   0.202192  -0.234547   1.102565
    15  H    0.163512  -0.112051   3.062729  -0.212792  -0.023393   0.015836
    16  H   -0.352808   0.202192  -0.212792   2.466693  -0.143689  -0.029977
    17  H    0.639471  -0.234547  -0.023393  -0.143689   2.387703  -0.143814
    18  H   -1.610740   1.102565   0.015836  -0.029977  -0.143814   2.523242
    19  H    0.673032  -2.158876  -0.048081   0.018735  -0.026857  -0.230253
              19
     1  O   -0.024985
     2  C    0.146096
     3  H   -0.005158
     4  H    0.015925
     5  C    0.054157
     6  C    0.484177
     7  H   -0.100208
     8  H   -0.038555
     9  H    0.015108
    10  C   -0.330913
    11  C    0.210572
    12  C   -0.269886
    13  C    0.673032
    14  C   -2.158876
    15  H   -0.048081
    16  H    0.018735
    17  H   -0.026857
    18  H   -0.230253
    19  H    3.612861
 Mulliken charges:
               1
     1  O   -0.454951
     2  C    0.416979
     3  H    0.097005
     4  H   -0.560521
     5  C    0.560346
     6  C    1.858460
     7  H   -0.199977
     8  H   -0.170020
     9  H   -0.164259
    10  C    0.526552
    11  C    0.254196
    12  C    0.635772
    13  C    0.059170
    14  C    1.044140
    15  H   -0.898184
    16  H   -0.655979
    17  H   -0.651965
    18  H   -0.699874
    19  H   -0.996891
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  O   -0.357946
     2  C   -0.143541
     5  C    0.026090
     6  C    1.858460
    10  C   -0.371632
    11  C   -0.401783
    12  C   -0.016193
    13  C   -0.640704
    14  C    0.047249
 Electronic spatial extent (au):  <R**2>=           1274.3583
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.0591    Y=              1.1024    Z=             -0.7025  Tot=              1.6824
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -54.1863   YY=            -50.9975   ZZ=            -57.1505
   XY=              2.7056   XZ=             -2.8542   YZ=              4.1994
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.0749   YY=              3.1139   ZZ=             -3.0391
   XY=              2.7056   XZ=             -2.8542   YZ=              4.1994
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -16.9156  YYY=             -2.0263  ZZZ=              7.6721  XYY=             -2.2041
  XXY=              4.4792  XXZ=             -6.4096  XZZ=              8.6577  YZZ=              3.1822
  YYZ=              0.1313  XYZ=              3.9320
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1166.5266 YYYY=           -337.0026 ZZZZ=           -175.3589 XXXY=              7.0173
 XXXZ=            -18.5089 YYYX=             -3.8442 YYYZ=             11.1750 ZZZX=             14.1635
 ZZZY=              2.5708 XXYY=           -249.6063 XXZZ=           -248.6200 YYZZ=            -98.8484
 XXYZ=             18.0638 YYXZ=              0.0819 ZZXY=              6.4337
 N-N= 4.248829512949D+02 E-N=-1.746536629884D+03  KE= 3.831437969004D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Aug 16 21:45:50 2021, MaxMem=  5637144576 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.14971907D-01 4.30441933D-01-2.36946877D-01
 Polarizability= 1.20315009D+02 6.58091285D-01 9.70346880D+01
                -1.68596022D+00 5.91441758D+00 6.67553385D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.7332    0.7326        0.5218    0.5218
 2     -0.7332   -0.7326       -2.7293   -2.7290      -12.9640  -12.9668
 3     -0.5218   -0.5218       28.1786   28.1803        2.7274    2.7290
 4      2.7293    2.7290        0.0000    0.0000       -0.5224   -0.5218
 5    -15.2146  -15.2135        0.5224    0.5218        0.7336    0.7326
 6     -2.7274   -2.7290       -0.7336   -0.7326       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -2.1979   -2.1979        1.5655    1.5655
 2      8.1871    8.1871        0.0000    0.0000        1.5655    1.5655
 3      8.1871    8.1871       -2.1979   -2.1979       -0.0000    0.0000
 4     -2.1979   -2.1979       -8.1871   -8.1871      -38.9003  -38.9003
 5     -1.5655   -1.5655       84.5410   84.5410        8.1871    8.1871
 6    -45.6406  -45.6406        1.5655    1.5655        2.1979    2.1979
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0039    0.0000       -2.9095   -2.9305       -2.1243   -2.0874
 2      2.9132    2.9305       10.9617   10.9161       51.8859   51.8671
 3      2.1072    2.0874     -112.8047 -112.7213      -10.9613  -10.9161
 4    -10.9180  -10.9161        0.0111    0.0000        2.0957    2.0874
 5     60.8625   60.8542       -2.1262   -2.0874       -2.9118   -2.9305
 6     10.9037   10.9161        2.9903    2.9305        0.0324    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0067    0.0000       -1.1421   -1.1564       -3.3601   -3.3443
 2      1.1402    1.1564       48.5530   48.4618       22.6733   22.6324
 3      3.3524    3.3443       18.9815   18.9337      -48.3958  -48.4618
 4    -48.3900  -48.4618       -0.0353    0.0000        3.2959    3.3443
 5    -41.5275  -41.5661       -3.3858   -3.3443       -1.2140   -1.1564
 6     48.3893   48.4618        1.1896    1.1564        0.0480    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -29.3925  -29.3550       -6.3651   -6.3942       -2.1447   -2.2073
 2   -105.0263 -105.0611       -3.6340   -3.6311       -2.1937   -2.2073
 3   -105.0263 -105.0611       -6.4120   -6.3942        0.2597    0.2661
 4     -2.7246   -2.7631       75.7253   75.7061       30.9887   30.9610
 5      2.4804    2.4734       33.3866   33.3868      -75.7342  -75.7061
 6    -64.2885  -64.3478       -2.4998   -2.4734        2.6564    2.7631
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0006    0.0006    0.0010    1.8448    3.3336    7.6452
 Low frequencies ---   16.5561  125.3398  198.2235
 Diagonal vibrational polarizability:
       68.2989721      24.6285691      65.0950305
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     16.5296               125.3396               198.2231
 Red. masses --      3.4791                 3.5210                 1.2501
 Frc consts  --      0.0006                 0.0326                 0.0289
 IR Inten    --      0.6745                 1.3222                90.6047
 RamAct Fr= 1--      3.5681                 4.1185                 0.5738
  Dep-P Fr= 1--      0.7484                 0.7500                 0.5938
  Dep-U Fr= 1--      0.8561                 0.8571                 0.7451
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0017
 Beta2  Fr= 1--      0.5091                 0.5884                 0.0713
 AlphaG Fr= 1--      0.0005                -0.0000                 0.0129
 Gamma2 Fr= 1--      0.2030                 0.1157                 0.5230
 Delta2 Fr= 1--      0.2434                 0.0218                 0.1400
 Raman1 Fr= 1--      14.272                 16.474                  2.295
 ROA1   Fr= 1--      27.279                 11.806                 54.688
 CID1   Fr= 1--       1.911                  0.717                 23.825
 Raman2 Fr= 1--       6.109                  7.060                  0.855
 ROA2   Fr= 1--       2.926                  2.603                 11.432
 CID2   Fr= 1--       0.479                  0.369                 13.368
 Raman3 Fr= 1--      12.219                 14.121                  1.710
 ROA3   Fr= 1--      27.279                 11.806                 54.688
 CID3   Fr= 1--       2.233                  0.836                 31.976
 RC180  Fr= 1--       0.712                  0.714                  0.490
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.04   0.21   0.07     0.21  -0.09  -0.06    -0.02  -0.05   0.00
     2   6    -0.00  -0.03   0.06    -0.00  -0.01   0.04    -0.01   0.01   0.01
     3   1     0.06   0.30  -0.05     0.47  -0.01  -0.01     0.80   0.48  -0.22
     4   1    -0.00  -0.11   0.23    -0.05   0.02  -0.04    -0.05  -0.01   0.03
     5   6    -0.05  -0.16  -0.15    -0.15   0.06  -0.02     0.06  -0.04   0.01
     6   6    -0.00  -0.04   0.05    -0.01  -0.02   0.18    -0.01   0.05  -0.01
     7   1    -0.10  -0.07  -0.34    -0.05   0.02   0.09     0.10  -0.03  -0.00
     8   1    -0.07  -0.37  -0.16    -0.37   0.17   0.06     0.07  -0.02   0.01
     9   1    -0.04  -0.11  -0.11    -0.15   0.06  -0.27     0.04  -0.10   0.02
    10   6    -0.02   0.01  -0.12    -0.01  -0.02   0.15     0.01   0.04  -0.02
    11   6    -0.02   0.03  -0.17    -0.02   0.02  -0.05     0.01  -0.01  -0.00
    12   6     0.00   0.01  -0.04    -0.03   0.05  -0.20    -0.02  -0.03   0.02
    13   6     0.02  -0.03   0.13    -0.02   0.02  -0.09    -0.05  -0.01   0.01
    14   6     0.02  -0.05   0.17    -0.02  -0.01   0.11    -0.04   0.04  -0.01
    15   1    -0.03   0.02  -0.22    -0.01  -0.03   0.21     0.04   0.05  -0.03
    16   1    -0.03   0.07  -0.29    -0.02   0.03  -0.11     0.03  -0.03  -0.00
    17   1     0.00   0.03  -0.07    -0.03   0.08  -0.39    -0.03  -0.06   0.05
    18   1     0.03  -0.04   0.23    -0.03   0.04  -0.18    -0.08  -0.02   0.02
    19   1     0.03  -0.08   0.30    -0.02  -0.02   0.16    -0.07   0.06  -0.01
                      4                      5                      6
                      A                      A                      A
 Frequencies --    237.2947               255.0164               326.7848
 Red. masses --      2.3018                 1.0887                 4.8379
 Frc consts  --      0.0764                 0.0417                 0.3044
 IR Inten    --     19.1597                 3.0426                10.0136
 RamAct Fr= 1--      0.5796                 0.1008                 2.3718
  Dep-P Fr= 1--      0.4168                 0.6776                 0.2173
  Dep-U Fr= 1--      0.5884                 0.8079                 0.3571
 Alpha2 Fr= 1--      0.0040                 0.0001                 0.0307
 Beta2  Fr= 1--      0.0568                 0.0136                 0.1411
 AlphaG Fr= 1--     -0.0072                 0.0005                -0.0150
 Gamma2 Fr= 1--      0.5041                 0.0736                 0.3182
 Delta2 Fr= 1--      0.3528                -0.0195                 0.1498
 Raman1 Fr= 1--       2.318                  0.403                  9.487
 ROA1   Fr= 1--      59.681                  6.443                 35.337
 CID1   Fr= 1--      25.742                 15.986                  3.725
 Raman2 Fr= 1--       0.682                  0.163                  1.694
 ROA2   Fr= 1--       9.276                  1.923                  6.438
 CID2   Fr= 1--      13.599                 11.810                  3.801
 Raman3 Fr= 1--       1.364                  0.326                  3.388
 ROA3   Fr= 1--      59.681                  6.443                 35.337
 CID3   Fr= 1--      43.749                 19.788                 10.431
 RC180  Fr= 1--       0.177                  0.616                 -0.286
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.05  -0.06  -0.04    -0.01   0.03   0.01     0.32   0.12  -0.05
     2   6    -0.01   0.03  -0.01    -0.01   0.00   0.01     0.05  -0.02   0.01
     3   1    -0.38  -0.41   0.18    -0.15  -0.06   0.04    -0.01  -0.11   0.07
     4   1    -0.16   0.02  -0.04    -0.04  -0.02   0.03     0.06  -0.02   0.03
     5   6     0.11  -0.11  -0.07     0.03  -0.04  -0.01     0.19  -0.01   0.14
     6   6    -0.00   0.13   0.06    -0.00   0.02   0.00    -0.04  -0.08  -0.01
     7   1     0.06  -0.02  -0.28     0.49  -0.14   0.31     0.21  -0.06   0.25
     8   1     0.29  -0.32  -0.14    -0.33   0.34   0.13     0.40   0.14   0.08
     9   1     0.10  -0.15   0.16    -0.05  -0.35  -0.47     0.16  -0.12   0.34
    10   6     0.06   0.08   0.05     0.01   0.02  -0.01    -0.16  -0.01  -0.08
    11   6     0.05  -0.02  -0.01     0.01  -0.01  -0.01    -0.17   0.04  -0.02
    12   6    -0.04  -0.05  -0.04    -0.00  -0.02   0.01    -0.15   0.03   0.08
    13   6    -0.11  -0.00   0.01    -0.02  -0.01   0.00    -0.08  -0.02  -0.03
    14   6    -0.09   0.10   0.07    -0.01   0.02  -0.01    -0.08  -0.07  -0.09
    15   1     0.13   0.11   0.07     0.03   0.02  -0.02    -0.25  -0.04  -0.14
    16   1     0.11  -0.07  -0.04     0.03  -0.02  -0.02    -0.18   0.05  -0.03
    17   1    -0.06  -0.11  -0.11    -0.00  -0.04   0.03    -0.14   0.05   0.19
    18   1    -0.19  -0.03   0.00    -0.04  -0.01   0.01    -0.01   0.02  -0.04
    19   1    -0.14   0.14   0.09    -0.02   0.03  -0.02    -0.08  -0.07  -0.15
                      7                      8                      9
                      A                      A                      A
 Frequencies --    336.4176               413.5041               492.6240
 Red. masses --      3.2429                 2.9314                 3.3121
 Frc consts  --      0.2162                 0.2953                 0.4736
 IR Inten    --      4.0323                 0.0255                 6.6527
 RamAct Fr= 1--      0.3373                 0.0331                 4.4379
  Dep-P Fr= 1--      0.7041                 0.4462                 0.0725
  Dep-U Fr= 1--      0.8264                 0.6171                 0.1351
 Alpha2 Fr= 1--      0.0003                 0.0002                 0.0831
 Beta2  Fr= 1--      0.0465                 0.0034                 0.1000
 AlphaG Fr= 1--     -0.0016                 0.0032                 0.0691
 Gamma2 Fr= 1--     -0.9415                 0.1978                -0.1552
 Delta2 Fr= 1--     -0.3063                 0.0194                 0.0442
 Raman1 Fr= 1--       1.349                  0.132                 17.752
 ROA1   Fr= 1--    -100.184                 19.604                -13.491
 CID1   Fr= 1--     -74.249                148.106                 -0.760
 Raman2 Fr= 1--       0.558                  0.041                  1.199
 ROA2   Fr= 1--     -20.146                  4.591                 -4.079
 CID2   Fr= 1--     -36.134                112.416                 -3.401
 Raman3 Fr= 1--       1.115                  0.082                  2.399
 ROA3   Fr= 1--    -100.184                 19.604                -13.491
 CID3   Fr= 1--     -89.848                240.011                 -5.624
 RC180  Fr= 1--       0.653                  0.234                 -0.730
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.12   0.09  -0.10    -0.00   0.01  -0.00     0.03   0.12  -0.15
     2   6    -0.01   0.03  -0.14    -0.00  -0.00  -0.00    -0.17  -0.12  -0.06
     3   1    -0.01   0.24  -0.23    -0.01  -0.00   0.00    -0.07   0.11  -0.20
     4   1     0.03   0.04  -0.13    -0.01  -0.00  -0.00    -0.28  -0.16  -0.02
     5   6     0.18   0.03   0.01     0.01  -0.00   0.00    -0.12  -0.12   0.18
     6   6    -0.02  -0.05  -0.03    -0.00   0.00  -0.00    -0.06   0.05   0.04
     7   1     0.30  -0.02   0.14     0.01  -0.01   0.01    -0.23  -0.24   0.42
     8   1     0.33   0.23  -0.03    -0.00   0.01   0.00     0.16   0.14   0.10
     9   1     0.14  -0.15   0.12     0.00  -0.01  -0.01    -0.12  -0.11   0.45
    10   6    -0.04  -0.07   0.15    -0.00   0.04  -0.21     0.05   0.01  -0.00
    11   6    -0.04  -0.01   0.06     0.01  -0.04   0.21     0.07  -0.05  -0.03
    12   6    -0.02   0.04  -0.16    -0.00  -0.00  -0.00     0.12  -0.04   0.01
    13   6     0.02  -0.03   0.07    -0.01   0.04  -0.20     0.04   0.03  -0.01
    14   6     0.01  -0.08   0.15     0.01  -0.04   0.21     0.04   0.10   0.01
    15   1    -0.06  -0.11   0.26    -0.01   0.09  -0.44     0.16   0.06  -0.02
    16   1    -0.06  -0.00   0.09     0.01  -0.09   0.45     0.06  -0.03  -0.05
    17   1    -0.02   0.11  -0.38    -0.00  -0.00   0.00     0.12  -0.06   0.02
    18   1     0.05  -0.02   0.11    -0.01   0.08  -0.43    -0.05   0.00  -0.04
    19   1     0.05  -0.12   0.25     0.02  -0.08   0.46     0.05   0.09  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    543.1271               607.1570               638.6029
 Red. masses --      3.0795                 3.2153                 6.3389
 Frc consts  --      0.5352                 0.6983                 1.5231
 IR Inten    --      9.3841                15.1904                 0.0910
 RamAct Fr= 1--      0.4629                 1.2900                 4.4322
  Dep-P Fr= 1--      0.7238                 0.7423                 0.7318
  Dep-U Fr= 1--      0.8398                 0.8521                 0.8451
 Alpha2 Fr= 1--      0.0002                 0.0002                 0.0014
 Beta2  Fr= 1--      0.0648                 0.1832                 0.6243
 AlphaG Fr= 1--     -0.0008                 0.0011                 0.0041
 Gamma2 Fr= 1--     -0.2366                 0.0999                 0.0744
 Delta2 Fr= 1--     -0.0782                 0.0649                -0.0241
 Raman1 Fr= 1--       1.852                  5.160                 17.729
 ROA1   Fr= 1--     -25.220                 11.672                  6.369
 CID1   Fr= 1--     -13.621                  2.262                  0.359
 Raman2 Fr= 1--       0.777                  2.198                  7.491
 ROA2   Fr= 1--      -5.053                  1.879                  1.977
 CID2   Fr= 1--      -6.500                  0.855                  0.264
 Raman3 Fr= 1--       1.555                  4.397                 14.983
 ROA3   Fr= 1--     -25.220                 11.672                  6.369
 CID3   Fr= 1--     -16.220                  2.655                  0.425
 RC180  Fr= 1--       0.680                  0.704                  0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.08  -0.01  -0.05     0.08  -0.03   0.02    -0.01   0.00  -0.02
     2   6    -0.07   0.12  -0.01    -0.15   0.19   0.10     0.02  -0.03  -0.02
     3   1     0.03   0.01   0.00     0.20  -0.17   0.29    -0.04   0.02  -0.06
     4   1    -0.07   0.16  -0.10    -0.14   0.22   0.03     0.04  -0.04  -0.00
     5   6     0.07   0.05  -0.05    -0.00   0.01   0.00    -0.01  -0.04   0.02
     6   6    -0.05  -0.07   0.25    -0.15  -0.00  -0.09    -0.00  -0.13  -0.02
     7   1     0.26   0.13  -0.18     0.29   0.15  -0.24    -0.05  -0.06   0.07
     8   1     0.19  -0.02  -0.10     0.05  -0.17  -0.03    -0.01   0.01   0.02
     9   1     0.02  -0.19   0.06    -0.08  -0.32   0.07    -0.01  -0.01   0.02
    10   6    -0.01  -0.08   0.03    -0.03  -0.14  -0.09     0.21  -0.21  -0.04
    11   6    -0.01  -0.01  -0.12    -0.00  -0.10   0.05     0.29   0.21   0.03
    12   6     0.07  -0.03   0.17     0.15   0.02  -0.10     0.00   0.14   0.03
    13   6     0.04   0.04  -0.12     0.05   0.07   0.08    -0.22   0.26   0.05
    14   6     0.02  -0.03   0.04    -0.00   0.03  -0.05    -0.26  -0.17  -0.02
    15   1    -0.00  -0.02  -0.24     0.06  -0.13   0.06     0.05  -0.27  -0.07
    16   1    -0.08   0.10  -0.43    -0.14  -0.03   0.28     0.18   0.30   0.03
    17   1     0.07  -0.01   0.20     0.15   0.02  -0.06    -0.06  -0.28  -0.06
    18   1     0.02   0.10  -0.44    -0.02   0.01   0.28    -0.06   0.33   0.04
    19   1     0.09  -0.03  -0.24     0.16  -0.11   0.07    -0.15  -0.25  -0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    711.6872               767.4278               789.4734
 Red. masses --      1.6933                 3.0851                 2.2557
 Frc consts  --      0.5053                 1.0705                 0.8284
 IR Inten    --     47.7269                23.3696                10.1280
 RamAct Fr= 1--      0.0939                12.1957                 3.5799
  Dep-P Fr= 1--      0.6732                 0.0396                 0.1092
  Dep-U Fr= 1--      0.8047                 0.0762                 0.1969
 Alpha2 Fr= 1--      0.0001                 0.2469                 0.0613
 Beta2  Fr= 1--      0.0126                 0.1548                 0.1175
 AlphaG Fr= 1--     -0.0005                 0.0254                -0.0195
 Gamma2 Fr= 1--     -0.0111                -0.9209                -0.7177
 Delta2 Fr= 1--     -0.0083                -0.4840                -0.1370
 Raman1 Fr= 1--       0.376                 48.783                 14.320
 ROA1   Fr= 1--      -1.330               -103.892                -73.278
 CID1   Fr= 1--      -3.539                 -2.130                 -5.117
 Raman2 Fr= 1--       0.151                  1.858                  1.410
 ROA2   Fr= 1--      -0.199                -18.229                -16.128
 CID2   Fr= 1--      -1.316                 -9.813                -11.442
 Raman3 Fr= 1--       0.302                  3.715                  2.819
 ROA3   Fr= 1--      -1.330               -103.892                -73.278
 CID3   Fr= 1--      -4.398                -27.962                -25.993
 RC180  Fr= 1--       0.609                 -0.848                 -0.606
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.01  -0.00   0.00     0.03  -0.01   0.09    -0.03  -0.00   0.01
     2   6    -0.00   0.00   0.00     0.10  -0.12  -0.05     0.05  -0.08  -0.03
     3   1     0.01  -0.02   0.02    -0.06   0.06  -0.07    -0.10   0.07  -0.13
     4   1     0.01   0.00   0.01     0.11  -0.16   0.06     0.02  -0.10  -0.01
     5   6     0.00  -0.00   0.00     0.07   0.03  -0.06     0.06   0.04  -0.06
     6   6    -0.01   0.02  -0.10    -0.09   0.03  -0.11    -0.02  -0.04   0.22
     7   1    -0.01  -0.00   0.00    -0.19  -0.07   0.11    -0.07  -0.03   0.07
     8   1    -0.01   0.00   0.01    -0.03   0.15  -0.01     0.08   0.16  -0.06
     9   1     0.00   0.00  -0.01     0.15   0.35  -0.17     0.09   0.19  -0.05
    10   6    -0.00  -0.02   0.06    -0.06  -0.11   0.04    -0.02  -0.02  -0.08
    11   6    -0.01   0.02  -0.14    -0.07  -0.13  -0.03    -0.02  -0.05  -0.00
    12   6     0.01  -0.01   0.07     0.14  -0.04   0.07     0.04   0.02  -0.13
    13   6    -0.01   0.04  -0.14    -0.06   0.16   0.03    -0.03   0.06   0.02
    14   6    -0.00  -0.01   0.07    -0.04   0.14   0.09    -0.02   0.07  -0.07
    15   1     0.02  -0.10   0.50     0.03  -0.06  -0.07     0.01  -0.02  -0.02
    16   1    -0.01  -0.04   0.22    -0.24   0.05  -0.32    -0.06  -0.10   0.47
    17   1     0.02  -0.11   0.55     0.12   0.02  -0.34     0.06  -0.13   0.52
    18   1    -0.00  -0.04   0.23    -0.28   0.14  -0.31    -0.09  -0.06   0.47
    19   1     0.02  -0.09   0.50     0.02   0.12  -0.04     0.00   0.05  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    855.8034               904.5879               929.3942
 Red. masses --      1.2486                 2.3693                 1.4970
 Frc consts  --      0.5388                 1.1423                 0.7619
 IR Inten    --      0.0318                19.4717                 7.1707
 RamAct Fr= 1--      1.3661                 4.3727                 1.6552
  Dep-P Fr= 1--      0.7256                 0.6041                 0.7135
  Dep-U Fr= 1--      0.8410                 0.7532                 0.8328
 Alpha2 Fr= 1--      0.0006                 0.0118                 0.0010
 Beta2  Fr= 1--      0.1915                 0.5489                 0.2297
 AlphaG Fr= 1--     -0.0016                -0.0033                -0.0057
 Gamma2 Fr= 1--      0.0692                 1.4150                 0.2134
 Delta2 Fr= 1--      0.0110                 1.7939                 0.1387
 Raman1 Fr= 1--       5.465                 17.491                  6.621
 ROA1   Fr= 1--       7.000                193.241                 24.924
 CID1   Fr= 1--       1.281                 11.048                  3.765
 Raman2 Fr= 1--       2.298                  6.587                  2.757
 ROA2   Fr= 1--       1.574                 19.607                  4.011
 CID2   Fr= 1--       0.685                  2.977                  1.455
 Raman3 Fr= 1--       4.596                 13.174                  5.513
 ROA3   Fr= 1--       7.000                193.241                 24.924
 CID3   Fr= 1--       1.523                 14.669                  4.521
 RC180  Fr= 1--       0.682                  0.506                  0.666
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00  -0.00     0.06  -0.03   0.17     0.02  -0.01   0.04
     2   6     0.00  -0.00   0.00    -0.16  -0.05  -0.09    -0.02   0.01  -0.03
     3   1    -0.00   0.00  -0.01     0.05   0.01   0.12     0.02  -0.00   0.04
     4   1     0.00   0.01  -0.01    -0.24  -0.14   0.11     0.00   0.00   0.00
     5   6    -0.00   0.00   0.00    -0.00   0.07  -0.16    -0.02  -0.01   0.00
     6   6    -0.00  -0.00  -0.00    -0.03   0.00  -0.00    -0.00   0.02  -0.09
     7   1     0.01   0.01  -0.01    -0.00  -0.11   0.23     0.00  -0.01   0.01
     8   1     0.00  -0.01  -0.00     0.45   0.56  -0.28     0.02   0.01  -0.01
     9   1    -0.00  -0.00   0.00    -0.02  -0.01   0.24    -0.02  -0.03   0.03
    10   6    -0.00   0.01  -0.08     0.02   0.03  -0.01     0.00  -0.02   0.10
    11   6    -0.00   0.01  -0.07     0.05   0.05   0.01     0.00   0.01  -0.01
    12   6    -0.00   0.00  -0.00    -0.02  -0.00   0.02    -0.00   0.02  -0.10
    13   6     0.00  -0.01   0.07     0.03  -0.05  -0.01     0.00  -0.00  -0.01
    14   6     0.00  -0.01   0.08     0.00  -0.03  -0.02     0.00  -0.02   0.11
    15   1     0.02  -0.09   0.51     0.02   0.02   0.10    -0.02   0.10  -0.54
    16   1     0.01  -0.09   0.46     0.11   0.01  -0.01     0.01  -0.00   0.01
    17   1    -0.00  -0.00   0.01    -0.02   0.01  -0.12     0.01  -0.11   0.58
    18   1    -0.01   0.09  -0.47     0.09  -0.02  -0.04     0.01  -0.01   0.01
    19   1    -0.02   0.09  -0.50     0.01  -0.06   0.08    -0.02   0.10  -0.54
                     19                     20                     21
                      A                      A                      A
 Frequencies --    961.2954               977.1083              1015.6811
 Red. masses --      1.3609                 1.2368                 1.9464
 Frc consts  --      0.7410                 0.6957                 1.1831
 IR Inten    --      0.0291                 0.5451                33.5969
 RamAct Fr= 1--      0.1153                 0.0738                29.1841
  Dep-P Fr= 1--      0.2198                 0.5081                 0.0795
  Dep-U Fr= 1--      0.3604                 0.6738                 0.1473
 Alpha2 Fr= 1--      0.0015                 0.0004                 0.5371
 Beta2  Fr= 1--      0.0069                 0.0083                 0.7165
 AlphaG Fr= 1--     -0.0139                 0.0034                -0.1427
 Gamma2 Fr= 1--     -0.2924                 0.0834                -0.0844
 Delta2 Fr= 1--      0.0818                 0.0315                 0.5898
 Raman1 Fr= 1--       0.461                  0.295                116.736
 ROA1   Fr= 1--     -25.456                  9.010                 10.768
 CID1   Fr= 1--     -55.184                 30.531                  0.092
 Raman2 Fr= 1--       0.083                  0.099                  8.598
 ROA2   Fr= 1--      -7.672                  1.748                 -6.745
 CID2   Fr= 1--     -92.295                 17.584                 -0.785
 Raman3 Fr= 1--       0.166                  0.199                 17.196
 ROA3   Fr= 1--     -25.456                  9.010                 10.768
 CID3   Fr= 1--    -153.109                 45.311                  0.626
 RC180  Fr= 1--      -0.279                  0.348                 -0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00    -0.00   0.00  -0.01    -0.03   0.01  -0.09
     2   6     0.00  -0.00  -0.00    -0.00  -0.00   0.01    -0.04   0.01   0.14
     3   1    -0.01   0.01  -0.01     0.00  -0.01   0.01     0.12  -0.14   0.21
     4   1     0.01   0.00  -0.01    -0.01  -0.01   0.01    -0.34  -0.13   0.31
     5   6    -0.00   0.00   0.00     0.01   0.00  -0.00     0.12  -0.02  -0.05
     6   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.05   0.03  -0.01
     7   1     0.01   0.01  -0.00    -0.01  -0.00   0.01    -0.32  -0.14   0.15
     8   1     0.01  -0.01  -0.00    -0.00   0.01  -0.00    -0.13   0.16   0.05
     9   1    -0.01  -0.01   0.01     0.01   0.02  -0.01     0.24   0.51  -0.21
    10   6    -0.00   0.01  -0.08     0.00   0.01  -0.04    -0.03   0.06   0.02
    11   6     0.00  -0.02   0.09     0.00  -0.01   0.08     0.02   0.02   0.00
    12   6    -0.00  -0.00   0.01    -0.00   0.02  -0.08     0.09   0.00  -0.00
    13   6    -0.00   0.02  -0.09     0.00  -0.01   0.07     0.03  -0.05  -0.01
    14   6     0.00  -0.01   0.09    -0.00   0.00  -0.03    -0.07  -0.11  -0.00
    15   1     0.02  -0.08   0.44     0.01  -0.05   0.29    -0.00   0.08  -0.03
    16   1    -0.02   0.09  -0.47    -0.02   0.11  -0.53    -0.01   0.04   0.02
    17   1    -0.01   0.01  -0.04     0.02  -0.10   0.54     0.10   0.05   0.00
    18   1     0.02  -0.10   0.54    -0.01   0.09  -0.46     0.09  -0.04   0.03
    19   1    -0.01   0.09  -0.48     0.01  -0.05   0.25    -0.07  -0.09  -0.12
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1027.9852              1054.3369              1077.6338
 Red. masses --      4.3642                 2.2617                 2.6523
 Frc consts  --      2.7173                 1.4813                 1.8147
 IR Inten    --      7.4611                10.7694                26.4820
 RamAct Fr= 1--     26.9826                22.6485                 4.1751
  Dep-P Fr= 1--      0.0521                 0.0436                 0.7384
  Dep-U Fr= 1--      0.0991                 0.0836                 0.8495
 Alpha2 Fr= 1--      0.5303                 0.4542                 0.0008
 Beta2  Fr= 1--      0.4455                 0.3157                 0.5911
 AlphaG Fr= 1--      0.0485                 0.0204                 0.0088
 Gamma2 Fr= 1--      0.0933                 0.3979                -0.1135
 Delta2 Fr= 1--      0.3395                 0.0982                -1.5532
 Raman1 Fr= 1--     107.930                 90.594                 16.701
 ROA1   Fr= 1--      19.816                 41.340                -60.604
 CID1   Fr= 1--       0.184                  0.456                 -3.629
 Raman2 Fr= 1--       5.346                  3.788                  7.093
 ROA2   Fr= 1--      -0.478                  8.764                  9.701
 CID2   Fr= 1--      -0.089                  2.313                  1.368
 Raman3 Fr= 1--      10.693                  7.577                 14.187
 ROA3   Fr= 1--      19.816                 41.340                -60.604
 CID3   Fr= 1--       1.853                  5.456                 -4.272
 RC180  Fr= 1--      -0.802                 -0.833                  0.699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.02  -0.01   0.06     0.02  -0.00   0.02    -0.02   0.01  -0.09
     2   6     0.04  -0.02  -0.09    -0.00  -0.02  -0.03    -0.04  -0.19   0.19
     3   1    -0.11   0.11  -0.18    -0.07   0.06  -0.12    -0.02  -0.01  -0.07
     4   1     0.18   0.08  -0.23     0.04   0.02  -0.11     0.13  -0.15   0.17
     5   6    -0.06   0.02   0.04     0.01   0.02   0.03     0.01   0.15  -0.03
     6   6     0.04  -0.02   0.01    -0.04  -0.00   0.00    -0.04  -0.05  -0.06
     7   1     0.21   0.12  -0.13     0.05   0.08  -0.11     0.37   0.29  -0.26
     8   1     0.05  -0.15  -0.01    -0.07  -0.13   0.05     0.19   0.00  -0.11
     9   1    -0.15  -0.32   0.10     0.00  -0.03  -0.08    -0.06  -0.15   0.03
    10   6    -0.11   0.30   0.05    -0.06  -0.05  -0.01    -0.05   0.06   0.03
    11   6    -0.03  -0.05  -0.01     0.07   0.19   0.04     0.07   0.04   0.01
    12   6     0.28  -0.05  -0.02     0.13  -0.02  -0.01    -0.03  -0.06  -0.01
    13   6    -0.03   0.08   0.02     0.00  -0.19  -0.04    -0.03   0.05   0.01
    14   6    -0.17  -0.22  -0.04    -0.03   0.08   0.01     0.08   0.04   0.02
    15   1    -0.09   0.31   0.10    -0.38  -0.17  -0.01    -0.22   0.02  -0.06
    16   1     0.03  -0.08  -0.03    -0.20   0.40   0.08     0.25  -0.09  -0.03
    17   1     0.29  -0.10  -0.02     0.14  -0.06  -0.02    -0.07  -0.39  -0.06
    18   1    -0.05   0.06   0.01    -0.36  -0.34  -0.06    -0.17   0.00   0.00
    19   1    -0.10  -0.29  -0.02    -0.27   0.25   0.07     0.29  -0.11  -0.07
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1090.3171              1121.3604              1185.8674
 Red. masses --      1.7098                 1.6908                 1.1182
 Frc consts  --      1.1976                 1.2527                 0.9265
 IR Inten    --     54.8284                 2.7275                 0.0557
 RamAct Fr= 1--      1.1548                 1.1440                 3.5636
  Dep-P Fr= 1--      0.6338                 0.7141                 0.7398
  Dep-U Fr= 1--      0.7759                 0.8332                 0.8504
 Alpha2 Fr= 1--      0.0024                 0.0007                 0.0006
 Beta2  Fr= 1--      0.1493                 0.1589                 0.5051
 AlphaG Fr= 1--      0.0086                 0.0058                 0.0015
 Gamma2 Fr= 1--     -0.2965                 1.7011                 0.1749
 Delta2 Fr= 1--     -0.3177                 0.5576                -0.0538
 Raman1 Fr= 1--       4.619                  4.576                 14.255
 ROA1   Fr= 1--     -38.632                181.148                 15.068
 CID1   Fr= 1--      -8.363                 39.586                  1.057
 Raman2 Fr= 1--       1.792                  1.906                  6.061
 ROA2   Fr= 1--      -4.574                 36.366                  4.628
 CID2   Fr= 1--      -2.553                 19.076                  0.763
 Raman3 Fr= 1--       3.584                  3.813                 12.123
 ROA3   Fr= 1--     -38.632                181.148                 15.068
 CID3   Fr= 1--     -10.779                 47.511                  1.243
 RC180  Fr= 1--       0.552                  0.666                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.05  -0.00  -0.06     0.01  -0.00  -0.02     0.00  -0.00  -0.00
     2   6     0.10   0.05   0.09    -0.02  -0.12   0.08     0.01   0.00   0.00
     3   1     0.16  -0.15   0.27    -0.11   0.07  -0.20    -0.01   0.01  -0.02
     4   1     0.26   0.00   0.25    -0.01  -0.08  -0.01    -0.01   0.00  -0.00
     5   6    -0.10  -0.04  -0.08    -0.01   0.08  -0.01    -0.00  -0.00  -0.00
     6   6     0.10  -0.02  -0.01     0.00   0.04  -0.02    -0.00   0.00  -0.00
     7   1     0.04  -0.18   0.28     0.22   0.18  -0.16     0.01  -0.00   0.00
     8   1     0.31   0.31  -0.19     0.10  -0.04  -0.05     0.01   0.01  -0.00
     9   1    -0.14  -0.22   0.36    -0.06  -0.15   0.01    -0.00   0.00   0.01
    10   6    -0.00  -0.01  -0.00     0.09  -0.04  -0.00    -0.01  -0.01  -0.00
    11   6    -0.04   0.00   0.00    -0.05  -0.04  -0.01     0.04  -0.03  -0.01
    12   6     0.05  -0.00  -0.00     0.01   0.07   0.01     0.01   0.07   0.01
    13   6    -0.03   0.00   0.00     0.04  -0.05  -0.01    -0.04  -0.02  -0.00
    14   6    -0.02   0.02   0.01    -0.10  -0.01   0.00     0.01  -0.01  -0.00
    15   1    -0.11  -0.06  -0.02     0.45   0.11  -0.03    -0.18  -0.08  -0.01
    16   1    -0.19   0.11   0.03    -0.21   0.08   0.02     0.40  -0.30  -0.07
    17   1     0.06   0.03   0.00     0.07   0.48   0.10     0.09   0.65   0.13
    18   1    -0.17  -0.06  -0.00     0.22   0.01  -0.01    -0.44  -0.17  -0.02
    19   1    -0.17   0.15   0.01    -0.37   0.19   0.04     0.13  -0.10  -0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1208.6295              1229.9690              1254.8482
 Red. masses --      1.1338                 1.9998                 1.6801
 Frc consts  --      0.9759                 1.7824                 1.5587
 IR Inten    --      0.1525                19.0416                 9.7728
 RamAct Fr= 1--      4.7746                19.8957                13.8037
  Dep-P Fr= 1--      0.5993                 0.1038                 0.0528
  Dep-U Fr= 1--      0.7495                 0.1880                 0.1002
 Alpha2 Fr= 1--      0.0133                 0.3451                 0.2709
 Beta2  Fr= 1--      0.5964                 0.6235                 0.2306
 AlphaG Fr= 1--      0.0048                -0.0468                 0.0314
 Gamma2 Fr= 1--      0.0115                -1.1123                -2.1473
 Delta2 Fr= 1--      0.0304                -0.4518                 0.2872
 Raman1 Fr= 1--      19.098                 79.583                 55.215
 ROA1   Fr= 1--       2.076               -121.242               -196.953
 CID1   Fr= 1--       0.109                 -1.523                 -3.567
 Raman2 Fr= 1--       7.157                  7.482                  2.767
 ROA2   Fr= 1--       0.033                -23.081                -53.834
 CID2   Fr= 1--       0.005                 -3.085                -19.453
 Raman3 Fr= 1--      14.314                 14.965                  5.535
 ROA3   Fr= 1--       2.076               -121.242               -196.953
 CID3   Fr= 1--       0.145                 -8.102                -35.584
 RC180  Fr= 1--       0.499                 -0.624                 -0.800
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00     0.01  -0.01   0.01    -0.02   0.04  -0.00
     2   6     0.00  -0.00  -0.00    -0.09   0.01   0.04    -0.12  -0.06  -0.12
     3   1     0.00   0.00   0.00    -0.12   0.10  -0.22     0.36  -0.24   0.61
     4   1     0.01   0.00  -0.01    -0.71  -0.05  -0.08     0.25  -0.17   0.27
     5   6    -0.00  -0.00   0.00     0.02   0.03   0.01     0.05   0.04   0.05
     6   6    -0.01   0.00   0.00     0.24   0.03  -0.02     0.08  -0.09   0.01
     7   1     0.00  -0.00   0.00     0.00   0.07  -0.08    -0.04   0.11  -0.15
     8   1    -0.00   0.01   0.00    -0.03  -0.01   0.02    -0.12  -0.15   0.08
     9   1     0.01   0.03   0.01     0.01   0.02  -0.04     0.03  -0.02  -0.19
    10   6     0.05   0.02   0.00     0.01  -0.03  -0.00     0.04   0.03   0.00
    11   6    -0.03   0.03   0.01    -0.05  -0.05  -0.01    -0.04  -0.00   0.00
    12   6    -0.01   0.00   0.00     0.02   0.01   0.00     0.01  -0.01  -0.00
    13   6    -0.05  -0.02  -0.00    -0.07   0.05   0.01    -0.00   0.04   0.01
    14   6     0.05  -0.03  -0.01     0.06  -0.04  -0.01    -0.01   0.02   0.00
    15   1     0.47   0.19   0.02    -0.36  -0.19  -0.03     0.04   0.02   0.02
    16   1    -0.36   0.28   0.07    -0.28   0.11   0.03    -0.02  -0.02   0.00
    17   1    -0.01   0.01   0.00    -0.00  -0.08  -0.01     0.02   0.10   0.02
    18   1    -0.46  -0.19  -0.02    -0.20   0.00   0.01    -0.17  -0.03   0.01
    19   1     0.42  -0.31  -0.07    -0.06   0.06   0.00    -0.17   0.15   0.03
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1331.4029              1356.6980              1388.0265
 Red. masses --      2.6409                 1.8457                 1.3115
 Frc consts  --      2.7582                 2.0016                 1.4887
 IR Inten    --     15.4832                 4.6040                 4.1973
 RamAct Fr= 1--      0.6958                 0.6233                 2.7732
  Dep-P Fr= 1--      0.5258                 0.7111                 0.4295
  Dep-U Fr= 1--      0.6892                 0.8312                 0.6009
 Alpha2 Fr= 1--      0.0030                 0.0004                 0.0184
 Beta2  Fr= 1--      0.0799                 0.0863                 0.2777
 AlphaG Fr= 1--     -0.0153                 0.0003                -0.0005
 Gamma2 Fr= 1--      0.6060                 0.5252                -1.5169
 Delta2 Fr= 1--      0.2483                -0.2291                -0.5899
 Raman1 Fr= 1--       2.783                  2.493                 11.093
 ROA1   Fr= 1--      66.120                 43.087               -164.499
 CID1   Fr= 1--      23.757                 17.281                -14.829
 Raman2 Fr= 1--       0.959                  1.036                  3.333
 ROA2   Fr= 1--      12.557                 14.437                -31.686
 CID2   Fr= 1--      13.093                 13.933                 -9.507
 Raman3 Fr= 1--       1.918                  2.072                  6.666
 ROA3   Fr= 1--      66.120                 43.087               -164.499
 CID3   Fr= 1--      34.472                 20.791                -24.678
 RC180  Fr= 1--       0.378                  0.662                  0.202
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.02   0.02  -0.01     0.01  -0.00   0.00     0.00  -0.02  -0.00
     2   6     0.09  -0.06  -0.10    -0.06   0.01   0.03     0.09   0.05  -0.05
     3   1     0.20  -0.14   0.34    -0.03   0.03  -0.06    -0.08   0.03  -0.12
     4   1    -0.11  -0.32   0.38     0.25   0.14  -0.14    -0.49  -0.31   0.51
     5   6    -0.04   0.06   0.04     0.03  -0.01  -0.02    -0.01   0.06   0.01
     6   6    -0.02   0.22   0.05     0.02  -0.01  -0.00    -0.03  -0.06  -0.01
     7   1     0.15   0.11  -0.05    -0.11  -0.05   0.03     0.01   0.01   0.09
     8   1     0.07  -0.19  -0.01    -0.06   0.05   0.01    -0.06  -0.21   0.02
     9   1    -0.10  -0.18  -0.03     0.03   0.00   0.01    -0.08  -0.21   0.08
    10   6    -0.10  -0.06  -0.01    -0.13  -0.03  -0.00    -0.01  -0.01  -0.00
    11   6     0.11  -0.08  -0.02     0.06  -0.04  -0.01    -0.03   0.04   0.01
    12   6     0.01   0.10   0.02     0.02   0.13   0.03    -0.00   0.01   0.00
    13   6    -0.11  -0.08  -0.01    -0.07  -0.01   0.00     0.06   0.02   0.00
    14   6     0.05  -0.07  -0.01     0.13  -0.07  -0.02    -0.00  -0.00  -0.00
    15   1    -0.13  -0.08   0.00     0.48   0.22   0.03     0.24   0.09   0.02
    16   1    -0.21   0.16   0.04     0.14  -0.10  -0.02     0.21  -0.15  -0.04
    17   1    -0.01  -0.06  -0.01    -0.05  -0.32  -0.06    -0.03  -0.17  -0.03
    18   1     0.35   0.10   0.01    -0.19  -0.05  -0.00    -0.21  -0.09  -0.01
    19   1     0.20  -0.18  -0.03    -0.44   0.36   0.08    -0.14   0.10   0.03
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1409.8979              1412.3693              1489.1476
 Red. masses --      1.2629                 1.2098                 1.1291
 Frc consts  --      1.4790                 1.4219                 1.4752
 IR Inten    --     14.4930                51.3750                 2.6136
 RamAct Fr= 1--      0.3903                 3.5804                 2.9484
  Dep-P Fr= 1--      0.7435                 0.7002                 0.6821
  Dep-U Fr= 1--      0.8529                 0.8236                 0.8110
 Alpha2 Fr= 1--      0.0000                 0.0031                 0.0035
 Beta2  Fr= 1--      0.0555                 0.4915                 0.3985
 AlphaG Fr= 1--      0.0005                -0.0072                -0.0236
 Gamma2 Fr= 1--     -0.2655                 2.1262                 1.2428
 Delta2 Fr= 1--      0.0769                 0.4148                -0.3348
 Raman1 Fr= 1--       1.561                 14.322                 11.794
 ROA1   Fr= 1--     -23.033                217.393                108.597
 CID1   Fr= 1--     -14.753                 15.179                  9.208
 Raman2 Fr= 1--       0.666                  5.898                  4.783
 ROA2   Fr= 1--      -6.988                 47.711                 32.507
 CID2   Fr= 1--     -10.496                  8.089                  6.797
 Raman3 Fr= 1--       1.332                 11.796                  9.565
 ROA3   Fr= 1--     -23.033                217.393                108.597
 CID3   Fr= 1--     -17.298                 18.430                 11.353
 RC180  Fr= 1--       0.706                  0.647                  0.622
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.01  -0.00     0.03  -0.05  -0.01    -0.01   0.01   0.00
     2   6     0.02   0.03  -0.02    -0.08   0.06  -0.01     0.03  -0.03  -0.01
     3   1    -0.04   0.01  -0.06    -0.25   0.13  -0.41     0.04  -0.03   0.09
     4   1    -0.03  -0.07   0.20     0.47  -0.12   0.62    -0.06  -0.03  -0.06
     5   6    -0.08  -0.09   0.08     0.03  -0.01  -0.00     0.03  -0.03  -0.01
     6   6     0.00  -0.01   0.00     0.02   0.01   0.01     0.01   0.04   0.01
     7   1     0.28   0.19  -0.41    -0.12   0.01  -0.07    -0.11   0.18  -0.47
     8   1     0.44   0.37  -0.08    -0.17   0.08   0.07    -0.40   0.52   0.17
     9   1     0.05   0.39  -0.37     0.01  -0.06   0.08    -0.01  -0.15   0.41
    10   6    -0.01  -0.00  -0.00     0.01   0.01   0.00     0.01  -0.02  -0.00
    11   6    -0.01   0.01   0.00     0.02  -0.02  -0.00    -0.04   0.01   0.00
    12   6     0.00   0.01   0.00    -0.00  -0.01  -0.00     0.01   0.03   0.01
    13   6     0.01   0.00  -0.00    -0.03  -0.00  -0.00     0.03  -0.01  -0.00
    14   6     0.00  -0.00  -0.00     0.01   0.00   0.00    -0.03  -0.00   0.00
    15   1     0.06   0.02   0.01    -0.11  -0.03   0.00     0.01  -0.03  -0.01
    16   1     0.05  -0.04  -0.01    -0.11   0.08   0.02     0.10  -0.09  -0.02
    17   1    -0.01  -0.06  -0.01     0.01   0.09   0.02    -0.02  -0.16  -0.03
    18   1    -0.05  -0.02  -0.00     0.09   0.04   0.00    -0.05  -0.05  -0.01
    19   1    -0.06   0.04   0.02     0.06  -0.04  -0.01     0.04  -0.06  -0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1493.2073              1497.1892              1535.4642
 Red. masses --      1.9079                 1.0551                 2.2007
 Frc consts  --      2.5064                 1.3935                 3.0570
 IR Inten    --     12.6097                 4.6448                 5.2699
 RamAct Fr= 1--      1.3865                 5.4650                 0.0265
  Dep-P Fr= 1--      0.6134                 0.6832                 0.7439
  Dep-U Fr= 1--      0.7604                 0.8118                 0.8531
 Alpha2 Fr= 1--      0.0035                 0.0064                 0.0000
 Beta2  Fr= 1--      0.1757                 0.7394                 0.0038
 AlphaG Fr= 1--      0.0098                -0.0325                 0.0000
 Gamma2 Fr= 1--     -3.6670                -1.3348                 0.2679
 Delta2 Fr= 1--      1.4259                -1.2129                -0.0817
 Raman1 Fr= 1--       5.546                 21.860                  0.106
 ROA1   Fr= 1--    -306.403               -166.956                 23.105
 CID1   Fr= 1--     -55.247                 -7.638                218.079
 Raman2 Fr= 1--       2.109                  8.873                  0.045
 ROA2   Fr= 1--     -99.415                -22.332                  7.083
 CID2   Fr= 1--     -47.148                 -2.517                156.733
 Raman3 Fr= 1--       4.217                 17.746                  0.090
 ROA3   Fr= 1--    -306.403               -166.956                 23.105
 CID3   Fr= 1--     -72.656                 -9.408                255.625
 RC180  Fr= 1--       0.521                  0.624                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6     0.05   0.02  -0.01    -0.02  -0.00  -0.02    -0.04   0.01   0.01
     3   1     0.03  -0.02   0.05     0.01  -0.00   0.01    -0.01   0.01  -0.03
     4   1    -0.34  -0.05  -0.02     0.03  -0.03   0.05    -0.01   0.01   0.01
     5   6     0.00  -0.02   0.00    -0.03  -0.02  -0.04     0.00   0.01   0.00
     6   6    -0.02  -0.14  -0.03     0.01   0.00   0.00     0.14  -0.02  -0.01
     7   1     0.04   0.09  -0.21     0.62  -0.01   0.13    -0.05  -0.02   0.05
     8   1    -0.18   0.21   0.08    -0.28  -0.20   0.06     0.05  -0.05  -0.02
     9   1     0.00   0.00   0.21     0.12   0.52   0.42    -0.00  -0.01  -0.08
    10   6    -0.08   0.05   0.01     0.00  -0.00  -0.00    -0.08  -0.09  -0.01
    11   6     0.12  -0.00  -0.00    -0.01   0.00   0.00    -0.10   0.12   0.03
    12   6    -0.01  -0.11  -0.02     0.01   0.01   0.00     0.10  -0.02  -0.01
    13   6    -0.11   0.02   0.01    -0.00  -0.01  -0.00    -0.13  -0.09  -0.01
    14   6     0.08   0.04   0.00    -0.01   0.00  -0.00    -0.05   0.10   0.02
    15   1     0.17   0.16   0.03     0.01  -0.00   0.00     0.42   0.10   0.01
    16   1    -0.19   0.25   0.05     0.02  -0.03  -0.01     0.40  -0.25  -0.06
    17   1     0.08   0.52   0.10    -0.00  -0.04  -0.01     0.13  -0.01  -0.01
    18   1     0.29   0.20   0.03     0.00  -0.01  -0.00     0.46   0.14   0.01
    19   1    -0.08   0.18   0.03    -0.01   0.01   0.01     0.40  -0.22  -0.05
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1630.0229              1649.5970              3036.3904
 Red. masses --      5.3991                 5.5652                 1.0354
 Frc consts  --      8.4520                 8.9226                 5.6246
 IR Inten    --      0.7558                 0.8799                12.8307
 RamAct Fr= 1--      8.1714                37.2122               192.8486
  Dep-P Fr= 1--      0.7496                 0.6283                 0.0105
  Dep-U Fr= 1--      0.8569                 0.7717                 0.0207
 Alpha2 Fr= 1--      0.0001                 0.0824                 4.1821
 Beta2  Fr= 1--      1.1670                 4.7862                 0.6651
 AlphaG Fr= 1--      0.0028                 0.0227                -0.4108
 Gamma2 Fr= 1--      0.3278                 0.5452                -1.0836
 Delta2 Fr= 1--      0.0039                 0.3776                -1.9118
 Raman1 Fr= 1--      32.686                148.849                771.394
 ROA1   Fr= 1--      31.593                 64.420               -165.206
 CID1   Fr= 1--       0.967                  0.433                 -0.214
 Raman2 Fr= 1--      14.004                 57.435                  7.981
 ROA2   Fr= 1--       7.836                 10.064                -10.712
 CID2   Fr= 1--       0.560                  0.175                 -1.342
 Raman3 Fr= 1--      28.008                114.869                 15.962
 ROA3   Fr= 1--      31.593                 64.420               -165.206
 CID3   Fr= 1--       1.128                  0.561                -10.350
 RC180  Fr= 1--       0.714                  0.543                 -0.959
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6     0.02   0.04   0.01     0.03  -0.00  -0.01     0.00  -0.01  -0.00
     3   1    -0.00   0.01  -0.01     0.00  -0.01   0.01     0.00  -0.00  -0.00
     4   1    -0.23  -0.01  -0.00    -0.00  -0.01   0.00    -0.01   0.06   0.03
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.02   0.04  -0.03
     6   6    -0.03  -0.29  -0.06    -0.22   0.02   0.01    -0.00   0.00  -0.00
     7   1    -0.04  -0.01   0.02    -0.00   0.00  -0.01     0.07  -0.57  -0.27
     8   1     0.02  -0.01  -0.00    -0.01   0.01   0.00     0.20  -0.02   0.57
     9   1     0.00  -0.01  -0.03    -0.00  -0.02   0.02    -0.46   0.13  -0.00
    10   6     0.11   0.17   0.03     0.31   0.05   0.00     0.00  -0.00   0.00
    11   6     0.05  -0.21  -0.04    -0.26   0.10   0.03     0.00   0.00   0.00
    12   6     0.05   0.35   0.07     0.14  -0.01  -0.01    -0.00   0.00  -0.00
    13   6    -0.09  -0.19  -0.03    -0.28  -0.04   0.00     0.00   0.00  -0.00
    14   6    -0.08   0.20   0.04     0.28  -0.12  -0.03    -0.00  -0.00  -0.00
    15   1    -0.28   0.01   0.01    -0.35  -0.21  -0.03    -0.00  -0.00  -0.00
    16   1    -0.25  -0.01   0.01     0.20  -0.26  -0.06    -0.00  -0.00  -0.00
    17   1    -0.07  -0.47  -0.09     0.15  -0.03  -0.01     0.00  -0.00  -0.00
    18   1     0.23  -0.08  -0.02     0.28   0.19   0.03     0.00  -0.00  -0.00
    19   1     0.32  -0.09  -0.02    -0.27   0.30   0.07     0.01   0.02   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3055.5256              3099.9073              3112.5349
 Red. masses --      1.0858                 1.1008                 1.1020
 Frc consts  --      5.9725                 6.2322                 6.2900
 IR Inten    --     13.0059                31.1984                26.8774
 RamAct Fr= 1--     66.8394                34.2359               111.4301
  Dep-P Fr= 1--      0.3283                 0.4783                 0.5472
  Dep-U Fr= 1--      0.4943                 0.6471                 0.7073
 Alpha2 Fr= 1--      0.6287                 0.1864                 0.4328
 Beta2  Fr= 1--      5.5065                 3.6925                13.1360
 AlphaG Fr= 1--     -0.3921                 0.1983                 0.0437
 Gamma2 Fr= 1--      2.2900                 1.7975                -1.9606
 Delta2 Fr= 1--      2.2144                 0.4765                 0.3946
 Raman1 Fr= 1--     267.358                136.944                445.721
 ROA1   Fr= 1--     290.699                187.810               -175.590
 CID1   Fr= 1--       1.087                  1.371                 -0.394
 Raman2 Fr= 1--      66.078                 44.311                157.633
 ROA2   Fr= 1--      37.245                 39.328                -50.211
 CID2   Fr= 1--       0.564                  0.888                 -0.319
 Raman3 Fr= 1--     132.157                 88.621                315.265
 ROA3   Fr= 1--     290.699                187.810               -175.590
 CID3   Fr= 1--       2.200                  2.119                 -0.557
 RC180  Fr= 1--      -0.011                  0.294                  0.415
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     2   6     0.01  -0.07  -0.03     0.00  -0.02  -0.01    -0.00   0.01   0.00
     3   1     0.01  -0.02  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
     4   1    -0.16   0.86   0.40    -0.04   0.21   0.09     0.02  -0.08  -0.04
     5   6    -0.01   0.01   0.02    -0.01  -0.05  -0.07    -0.08   0.04  -0.02
     6   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     7   1     0.02  -0.13  -0.06    -0.07   0.64   0.29     0.01  -0.23  -0.12
     8   1    -0.06   0.01  -0.15     0.22  -0.05   0.62     0.12  -0.01   0.39
     9   1     0.13  -0.03   0.01    -0.08   0.01  -0.02     0.84  -0.21  -0.00
    10   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1     0.01  -0.02  -0.01     0.01  -0.01  -0.00    -0.00   0.01   0.00
    16   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    17   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   1     0.00   0.00  -0.00    -0.00   0.01   0.00     0.00  -0.00  -0.00
    19   1     0.01   0.01   0.00    -0.03  -0.04  -0.01     0.01   0.02   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3163.8781              3167.9597              3177.2192
 Red. masses --      1.0853                 1.0866                 1.0898
 Frc consts  --      6.4010                 6.4253                 6.4820
 IR Inten    --      4.5529                 1.3490                 7.5763
 RamAct Fr= 1--     14.8277               101.2698               115.2714
  Dep-P Fr= 1--      0.3849                 0.7377                 0.4858
  Dep-U Fr= 1--      0.5558                 0.8491                 0.6539
 Alpha2 Fr= 1--      0.1158                 0.0212                 0.6073
 Beta2  Fr= 1--      1.3736                14.3306                12.5634
 AlphaG Fr= 1--     -0.0094                 0.0162                -0.0111
 Gamma2 Fr= 1--      0.9755                -2.1211                -2.0804
 Delta2 Fr= 1--      0.1796                 0.0762                 0.3725
 Raman1 Fr= 1--      59.311                405.079                461.086
 ROA1   Fr= 1--      99.398               -201.182               -187.797
 CID1   Fr= 1--       1.676                 -0.497                 -0.407
 Raman2 Fr= 1--      16.483                171.968                150.761
 ROA2   Fr= 1--      21.977                -51.516                -52.910
 CID2   Fr= 1--       1.333                 -0.300                 -0.351
 Raman3 Fr= 1--      32.966                343.936                301.522
 ROA3   Fr= 1--      99.398               -201.182               -187.797
 CID3   Fr= 1--       3.015                 -0.585                 -0.623
 RC180  Fr= 1--       0.112                  0.698                  0.308
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   1     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     4   1    -0.01   0.01   0.01    -0.00   0.02   0.01     0.00  -0.01  -0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     7   1     0.00  -0.02  -0.01    -0.01   0.04   0.02    -0.00   0.03   0.01
     8   1    -0.00   0.00  -0.01     0.00  -0.00   0.01     0.00  -0.00   0.01
     9   1     0.00  -0.00   0.00    -0.01   0.00  -0.00    -0.00   0.00  -0.00
    10   6     0.02  -0.05  -0.01     0.02  -0.04  -0.01    -0.01   0.04   0.01
    11   6     0.02   0.03   0.01     0.01   0.02   0.00     0.02   0.02   0.00
    12   6    -0.03   0.00   0.00     0.01  -0.00  -0.00    -0.05   0.01   0.00
    13   6     0.01  -0.03  -0.01    -0.01   0.04   0.01     0.01  -0.01  -0.00
    14   6     0.02   0.02   0.00    -0.03  -0.04  -0.01    -0.03  -0.04  -0.01
    15   1    -0.21   0.53   0.11    -0.21   0.52   0.10     0.16  -0.40  -0.08
    16   1    -0.29  -0.37  -0.06    -0.15  -0.20  -0.03    -0.20  -0.24  -0.04
    17   1     0.37  -0.05  -0.02    -0.12   0.02   0.01     0.62  -0.08  -0.03
    18   1    -0.15   0.37   0.08     0.17  -0.44  -0.09    -0.06   0.14   0.03
    19   1    -0.21  -0.28  -0.04     0.36   0.47   0.07     0.32   0.42   0.06
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3185.0587              3195.5923              3788.2078
 Red. masses --      1.0936                 1.0976                 1.0661
 Frc consts  --      6.5362                 6.6037                 9.0140
 IR Inten    --     30.3746                12.7331                17.7516
 RamAct Fr= 1--     22.8996               330.9578                54.8835
  Dep-P Fr= 1--      0.7498                 0.0916                 0.0893
  Dep-U Fr= 1--      0.8570                 0.1678                 0.1639
 Alpha2 Fr= 1--      0.0001                 5.9152                 0.9864
 Beta2  Fr= 1--      3.2708                 9.2534                 1.4991
 AlphaG Fr= 1--     -0.0004                 0.0688                -0.9585
 Gamma2 Fr= 1--      0.3861                 1.7696                 2.0983
 Delta2 Fr= 1--     -1.9574                 0.2165                -2.2587
 Raman1 Fr= 1--      91.598               1323.831                219.534
 ROA1   Fr= 1--     -25.576                176.806                129.157
 CID1   Fr= 1--      -0.279                  0.134                  0.588
 Raman2 Fr= 1--      39.249                111.041                 17.989
 ROA2   Fr= 1--      24.925                 40.738                 68.429
 CID2   Fr= 1--       0.635                  0.367                  3.804
 Raman3 Fr= 1--      78.498                222.082                 35.978
 ROA3   Fr= 1--     -25.576                176.806                129.157
 CID3   Fr= 1--      -0.326                  0.796                  3.590
 RC180  Fr= 1--       0.714                 -0.664                 -0.672
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.02  -0.05  -0.04
     2   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.33   0.76   0.56
     4   1    -0.00   0.01   0.00    -0.00   0.00   0.00    -0.00   0.01   0.01
     5   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   1    -0.00   0.02   0.01     0.00  -0.01  -0.00     0.00  -0.00  -0.00
     8   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   6     0.01  -0.03  -0.01     0.01  -0.01  -0.00     0.00  -0.00   0.00
    11   6    -0.03  -0.04  -0.01    -0.03  -0.04  -0.01    -0.00  -0.00  -0.00
    12   6    -0.00   0.00   0.00    -0.06   0.01   0.00     0.00   0.00   0.00
    13   6     0.02  -0.05  -0.01    -0.01   0.04   0.01    -0.00   0.00  -0.00
    14   6    -0.02  -0.03  -0.00     0.01   0.01   0.00     0.00   0.00   0.00
    15   1    -0.12   0.29   0.06    -0.07   0.17   0.03    -0.00   0.00   0.00
    16   1     0.37   0.46   0.08     0.30   0.38   0.07     0.00   0.00  -0.00
    17   1     0.02  -0.01  -0.00     0.66  -0.09  -0.04    -0.00  -0.00   0.00
    18   1    -0.22   0.54   0.11     0.17  -0.43  -0.09     0.00  -0.00   0.00
    19   1     0.26   0.33   0.05    -0.13  -0.16  -0.03    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  8 and mass  15.99491
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  1 and mass   1.00783
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   122.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   520.446801638.930051841.94092
           X            0.99974   0.01587  -0.01664
           Y           -0.01532   0.99935   0.03253
           Z            0.01714  -0.03227   0.99933
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16642     0.05285     0.04702
 Rotational constants (GHZ):           3.46768     1.10117     0.97980
 Zero-point vibrational energy     421859.0 (Joules/Mol)
                                  100.82673 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     23.78   180.34   285.20   341.41   366.91
          (Kelvin)            470.17   484.03   594.94   708.78   781.44
                              873.56   918.81  1023.96  1104.16  1135.88
                             1231.31  1301.50  1337.19  1383.09  1405.84
                             1461.34  1479.04  1516.96  1550.47  1568.72
                             1613.39  1706.20  1738.95  1769.65  1805.45
                             1915.59  1951.99  1997.06  2028.53  2032.08
                             2142.55  2148.39  2154.12  2209.19  2345.24
                             2373.40  4368.69  4396.22  4460.08  4478.24
                             4552.11  4557.99  4571.31  4582.59  4597.74
                             5450.39
 
 Zero-point correction=                           0.160678 (Hartree/Particle)
 Thermal correction to Energy=                    0.169260
 Thermal correction to Enthalpy=                  0.170204
 Thermal correction to Gibbs Free Energy=         0.126271
 Sum of electronic and zero-point Energies=           -386.114886
 Sum of electronic and thermal Energies=              -386.106303
 Sum of electronic and thermal Enthalpies=            -386.105359
 Sum of electronic and thermal Free Energies=         -386.149292
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  106.212             32.443             92.464
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.313
 Rotational               0.889              2.981             28.842
 Vibrational            104.435             26.482             23.309
 Vibration     1          0.593              1.986              7.013
 Vibration     2          0.610              1.928              3.016
 Vibration     3          0.637              1.842              2.150
 Vibration     4          0.656              1.784              1.823
 Vibration     5          0.665              1.754              1.696
 Vibration     6          0.710              1.622              1.276
 Vibration     7          0.717              1.603              1.229
 Vibration     8          0.777              1.441              0.914
 Vibration     9          0.848              1.266              0.677
 Vibration    10          0.898              1.155              0.559
 Vibration    11          0.966              1.017              0.438
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.830275D-58        -58.080778       -133.735934
 Total V=0       0.669472D+16         15.825732         36.440096
 Vib (Bot)       0.349049D-71        -71.457114       -164.536086
 Vib (Bot)    1  0.125332D+02          1.098063          2.528384
 Vib (Bot)    2  0.162837D+01          0.211753          0.487579
 Vib (Bot)    3  0.100659D+01          0.002854          0.006571
 Vib (Bot)    4  0.827331D+00         -0.082321         -0.189551
 Vib (Bot)    5  0.763495D+00         -0.117194         -0.269849
 Vib (Bot)    6  0.572897D+00         -0.241923         -0.557049
 Vib (Bot)    7  0.553192D+00         -0.257124         -0.592050
 Vib (Bot)    8  0.426736D+00         -0.369841         -0.851590
 Vib (Bot)    9  0.335805D+00         -0.473913         -1.091225
 Vib (Bot)   10  0.290845D+00         -0.536339         -1.234965
 Vib (Bot)   11  0.244120D+00         -0.612396         -1.410095
 Vib (V=0)       0.281447D+03          2.449396          5.639944
 Vib (V=0)    1  0.130432D+02          1.115384          2.568267
 Vib (V=0)    2  0.220340D+01          0.343094          0.790004
 Vib (V=0)    3  0.162393D+01          0.210569          0.484852
 Vib (V=0)    4  0.146668D+01          0.166336          0.383003
 Vib (V=0)    5  0.141265D+01          0.150034          0.345465
 Vib (V=0)    6  0.126040D+01          0.100509          0.231431
 Vib (V=0)    7  0.124567D+01          0.095403          0.219672
 Vib (V=0)    8  0.115735D+01          0.063463          0.146129
 Vib (V=0)    9  0.110230D+01          0.042300          0.097399
 Vib (V=0)   10  0.107844D+01          0.032795          0.075514
 Vib (V=0)   11  0.105641D+01          0.023833          0.054879
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.530132D+08          7.724384         17.786052
 Rotational      0.448696D+06          5.651952         13.014100
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3                33333 3333                                             11 1111111111111111111                                  
     7                11111 1100                                             66 54444433322211000009999 8 77 7 66 5 4  4 33 221 1    
     8                98766 1053                                             53 39981185353082975217620 5 86 1 30 4 9  1 32 539 2   1
     8                65784 3066                                             00 57392087150961084867195 6 97 2 97 3 3  4 67 578 5   7
 
     X                XXXXX XXXX                                             XX XXXXXXXXXXXXXXXXXXXX XX   XX X XX X X    XX XXX X   X
     X                XXX   XXXX                                                  X XX  XXX   XXXXX  XX   XX X  X X       X  XX      
     X                XX    XXXX                                                  X XX  X X   XX  X   X    X X  X            XX      
     X                 X    XX                                                      X     X   XX  X   X    X X               XX      
                       X    XX                                                      X         XX  X        X X                X      
                       X    XX                                                      X         XX  X          X                X      
                       X     X                                                      X         X   X          X                X      
                                                                                    X         X              X                X      
                                                                                    X         X              X                X      
                                                                                    X         X              X                X      
                                                                                    X         X              X                X      
                                                                                              X                               X      
                                                                                                                              X      
                                                                                                                              X      
                                                                                                                              X      
                                                                                                                              X      
                                                                                                                              X      
                                                                                                                              X      
                                                                                                                              X      
                                                                                                                              X      
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000010607   -0.000003894   -0.000015466
      2        6           0.000011988   -0.000016401    0.000013738
      3        1           0.000000549    0.000004842    0.000004648
      4        1          -0.000001379    0.000001073   -0.000000397
      5        6           0.000001738    0.000014714   -0.000000918
      6        6          -0.000006534    0.000004770   -0.000007101
      7        1           0.000003652   -0.000003528   -0.000005103
      8        1          -0.000000167   -0.000002216   -0.000000850
      9        1          -0.000002074   -0.000002505    0.000001630
     10        6          -0.000001392    0.000007623    0.000006984
     11        6           0.000005481    0.000001035    0.000001684
     12        6           0.000002310    0.000001010    0.000000265
     13        6          -0.000000749   -0.000002178    0.000001306
     14        6           0.000001024   -0.000005008    0.000003343
     15        1           0.000001047    0.000000213   -0.000003368
     16        1          -0.000001346    0.000001802    0.000000536
     17        1           0.000000037   -0.000001694   -0.000000039
     18        1           0.000002046   -0.000000144   -0.000000166
     19        1          -0.000005624    0.000000486   -0.000000726
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000016401 RMS     0.000005420
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.131474D+03  0.104369D+01 -0.146524D+01
      2   0.104369D+01  0.105541D+03  0.545805D+01
      3  -0.146524D+01  0.545805D+01  0.751134D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.566329D+00 -0.808246D+01 -0.263452D+01
      2   0.114268D+02 -0.107499D+02  0.797086D+01
      3   0.147810D+01  0.404910D+02  0.100332D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.898953D+02 -0.342774D+01  0.760529D+01
      2   0.302702D+02  0.104866D+02  0.733921D+01
      3   0.596252D+02 -0.705882D+01 -0.149445D+02
      4   0.163322D+02 -0.804311D+02 -0.269328D+02
      5  -0.172436D+02 -0.273371D+02  0.246300D+02
      6  -0.110480D+02 -0.150363D+02  0.993804D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.504969D+01 -0.868752D+00  0.213574D+01 -0.280380D+01  0.198272D+01
      2  -0.868752D+00  0.864303D+00 -0.477198D+00  0.198272D+01 -0.305325D+01
      3   0.213574D+01 -0.477198D+00  0.265145D+01 -0.118821D+01  0.426948D-01
                 6             7             8             9            10 
      1  -0.118821D+01  0.554374D+01 -0.953191D+00  0.370393D+01 -0.385588D+01
      2   0.426948D-01 -0.953191D+00 -0.126991D+01 -0.311377D+01  0.150386D+00
      3  -0.326927D+01  0.370393D+01 -0.311377D+01  0.260117D+01 -0.512742D+00
                11            12            13            14            15 
      1   0.150386D+00 -0.512742D+00 -0.377286D+00 -0.213749D+01  0.179620D+01
      2  -0.646124D+00  0.154760D+01 -0.213749D+01  0.398273D+01  0.312836D+01
      3   0.154760D+01 -0.239456D+01  0.179620D+01  0.312836D+01  0.151117D+00
                16            17            18            19            20 
      1  -0.457390D+01  0.192003D+01 -0.497012D+01 -0.629776D+00  0.355682D+00
      2   0.192003D+01  0.328598D+01  0.185469D+01  0.355682D+00 -0.465021D+00
      3  -0.497012D+01  0.185469D+01 -0.157349D+01  0.155749D-01 -0.390289D+00
                21            22            23            24            25 
      1   0.155749D-01  0.228085D+01 -0.502488D-01  0.367723D+00  0.173104D+01
      2  -0.390289D+00 -0.502488D-01  0.212287D+01  0.171689D+01 -0.181596D+00
      3  -0.126891D+01  0.367723D+00  0.171689D+01  0.313854D+01  0.415152D+00
                26            27            28            29            30 
      1  -0.181596D+00  0.415152D+00  0.297258D+00 -0.113842D+01 -0.681940D+00
      2   0.194688D+01  0.123127D+01 -0.113842D+01  0.118416D+01  0.178093D+00
      3   0.123127D+01  0.418241D+01 -0.681940D+00  0.178093D+00  0.771703D+00
                31            32            33            34            35 
      1  -0.261836D+01  0.186101D+01  0.380693D+00 -0.104589D+01  0.391267D+00
      2   0.186101D+01 -0.601375D+01 -0.181858D+01  0.391267D+00 -0.221708D+01
      3   0.380693D+00 -0.181858D+01 -0.185717D+01  0.110967D+01 -0.164714D+01
                36            37            38            39            40 
      1   0.110967D+01 -0.837623D+01  0.196300D+01  0.138663D+00  0.429602D+01
      2  -0.164714D+01  0.196300D+01  0.110198D+01 -0.115874D+01  0.121959D+01
      3  -0.149433D+01  0.138663D+00 -0.115874D+01  0.306399D+01 -0.138072D+01
                41            42            43            44            45 
      1   0.121959D+01 -0.138072D+01 -0.118675D+01 -0.139596D+01  0.248309D+01
      2  -0.344099D+01 -0.287646D+01 -0.139596D+01 -0.271555D+01 -0.818164D+00
      3  -0.287646D+01 -0.213655D+00  0.248309D+01 -0.818164D+00  0.489573D+01
                46            47            48            49            50 
      1   0.176191D+02 -0.195055D+01  0.100287D+01 -0.317931D+01 -0.121389D+01
      2  -0.195055D+01  0.253214D+01  0.167978D-01 -0.121389D+01 -0.703680D+00
      3   0.100287D+01  0.167978D-01  0.222187D+01 -0.160602D+01 -0.440536D+00
                51            52            53            54            55 
      1  -0.160602D+01 -0.587271D+00 -0.105936D+01  0.392376D+01  0.443347D+00
      2  -0.440536D+00 -0.105936D+01 -0.231235D+00 -0.474134D+00  0.441584D+00
      3  -0.911484D-01  0.392376D+01 -0.474134D+00 -0.313364D+00  0.471258D+00
                56            57            58            59            60 
      1   0.441584D+00  0.471258D+00  0.206721D+01  0.902989D+00 -0.163492D+00
      2  -0.567104D-01  0.253312D+00  0.902989D+00  0.615865D+01  0.977139D+00
      3   0.253312D+00 -0.406557D+00 -0.163492D+00  0.977139D+00  0.180388D+01
                61            62            63            64            65 
      1   0.142913D+01  0.584797D+00 -0.174517D+00  0.458806D-02 -0.110677D+00
      2   0.584797D+00  0.209771D+01  0.117690D+01 -0.110677D+00 -0.527105D+00
      3  -0.174517D+00  0.117690D+01  0.619411D+00 -0.830683D+00  0.397958D+00
                66            67            68            69            70 
      1  -0.830683D+00 -0.428353D+00 -0.300457D-01  0.118679D+00 -0.188402D+01
      2   0.397958D+00 -0.300457D-01  0.710063D+00 -0.874264D+00 -0.211008D+00
      3  -0.206251D+01  0.118679D+00 -0.874264D+00  0.532910D+00  0.176622D+00
                71            72            73            74            75 
      1  -0.211008D+00  0.176622D+00  0.128625D+02 -0.430214D+00 -0.152200D+01
      2  -0.133079D+01  0.127368D+01 -0.430214D+00  0.118648D+01 -0.349014D-01
      3   0.127368D+01 -0.869518D+01 -0.152200D+01 -0.349014D-01  0.135587D+01
                76            77            78            79            80 
      1  -0.252991D+01  0.100659D+01  0.534432D+00 -0.407636D-01  0.154972D+00
      2   0.100659D+01 -0.277712D+00  0.162103D+00  0.154972D+00  0.314345D+00
      3   0.534432D+00  0.162103D+00 -0.540380D+00  0.105945D+01  0.405789D-01
                81            82            83            84            85 
      1   0.105945D+01 -0.506115D+01  0.262636D+01  0.473476D-01 -0.620236D+01
      2   0.405789D-01  0.262636D+01  0.256216D+01  0.245750D+00  0.239845D+00
      3  -0.766468D+00  0.473476D-01  0.245750D+00  0.120479D+01 -0.370621D+00
                86            87            88            89            90 
      1   0.239845D+00 -0.370621D+00 -0.108733D+01 -0.554614D+00  0.103439D+01
      2  -0.154508D+01  0.780108D+00 -0.554614D+00  0.107081D+01 -0.360305D+01
      3   0.780108D+00 -0.171196D+01  0.103439D+01 -0.360305D+01 -0.221872D+01
                91            92            93            94            95 
      1   0.217544D+01 -0.717731D+00  0.966578D-01 -0.567260D+01  0.784281D+00
      2  -0.717731D+00 -0.317562D+01 -0.730024D+00  0.784281D+00 -0.587705D+00
      3   0.966578D-01 -0.730024D+00 -0.166494D+01  0.579594D+00  0.115744D+01
                96            97            98            99           100 
      1   0.579594D+00 -0.120984D+01  0.627394D+00 -0.300248D+01 -0.566861D+01
      2   0.115744D+01  0.627394D+00  0.144165D+01 -0.325372D+01  0.174520D+00
      3  -0.177389D+01 -0.300248D+01 -0.325372D+01 -0.152858D+01 -0.257020D+00
               101           102           103           104           105 
      1   0.174520D+00 -0.257020D+00  0.763187D+00  0.576525D+00  0.142470D+01
      2  -0.329117D+01 -0.734204D-01  0.576525D+00 -0.180769D+00 -0.548208D+00
      3  -0.734204D-01 -0.291076D+01  0.142470D+01 -0.548208D+00  0.202733D+00
               106           107           108           109           110 
      1   0.900100D-01  0.120654D+01 -0.532968D+01  0.418730D+01 -0.603203D+00
      2   0.120654D+01 -0.157063D+00  0.483443D+00 -0.603203D+00 -0.214634D+01
      3  -0.532968D+01  0.483443D+00  0.561131D+00 -0.160688D+00  0.678010D-01
               111           112           113           114           115 
      1  -0.160688D+00  0.514731D+01 -0.286201D+00  0.283001D+00  0.112968D+01
      2   0.678010D-01 -0.286201D+00  0.137982D+01 -0.938291D+00  0.451673D+00
      3  -0.870029D+00  0.283001D+00 -0.938291D+00  0.205693D+01 -0.179051D+01
               116           117           118           119           120 
      1   0.451673D+00 -0.179051D+01 -0.408198D+01 -0.484874D+00 -0.114257D+00
      2  -0.117688D+01  0.384024D+01 -0.484874D+00  0.351485D+01  0.488887D+00
      3   0.384024D+01  0.233916D+01 -0.114257D+00  0.488887D+00  0.184436D+01
               121           122           123           124           125 
      1   0.821723D+01  0.885681D-01  0.249991D+00  0.176373D+01 -0.314484D-01
      2   0.885681D-01  0.120611D+01 -0.536883D+00 -0.314484D-01 -0.113946D+01
      3   0.249991D+00 -0.536883D+00  0.144501D+01  0.193474D+01  0.306805D+01
               126           127           128           129           130 
      1   0.193474D+01  0.159801D+01 -0.173723D+01 -0.380191D+00 -0.162497D+01
      2   0.306805D+01 -0.173723D+01  0.228751D+01  0.444626D+00  0.196865D+01
      3   0.139475D+01 -0.380191D+00  0.444626D+00  0.333112D+00  0.430272D+00
               131           132           133           134           135 
      1   0.196865D+01  0.430272D+00 -0.426692D+00  0.482145D+00  0.627864D-03
      2  -0.864449D+01 -0.148932D+01  0.482145D+00 -0.158064D+01 -0.436796D+00
      3  -0.148932D+01 -0.125316D+01  0.627864D-03 -0.436796D+00 -0.250123D+00
               136           137           138           139           140 
      1  -0.500443D+01 -0.381258D+01 -0.632286D+00 -0.379405D+01 -0.437790D+01
      2  -0.381258D+01 -0.357665D+01 -0.472739D+00 -0.437790D+01 -0.654334D+01
      3  -0.632286D+00 -0.472739D+00 -0.723063D+00 -0.763053D+00 -0.981418D+00
               141           142           143           144           145 
      1  -0.763053D+00 -0.638415D+00 -0.717920D+00 -0.204596D+00 -0.130107D+02
      2  -0.981418D+00 -0.717920D+00 -0.119485D+01 -0.231947D+00  0.131495D+01
      3  -0.100495D+01 -0.204596D+00 -0.231947D+00 -0.201920D+00  0.586713D+00
               146           147           148           149           150 
      1   0.131495D+01  0.586713D+00  0.135413D+01 -0.166417D+01 -0.360749D+00
      2  -0.100811D+01 -0.292085D-01 -0.166417D+01  0.485068D+00  0.963767D-01
      3  -0.292085D-01 -0.105197D+01 -0.360749D+00  0.963767D-01  0.161687D+00
               151           152           153           154           155 
      1   0.503793D+00 -0.364489D+00 -0.765456D-01 -0.225312D+01  0.254822D+01
      2  -0.364489D+00  0.103402D+00  0.295769D-01  0.254822D+01 -0.278501D+01
      3  -0.765456D-01  0.295769D-01  0.976555D-01  0.551914D+00 -0.521651D+00
               156           157           158           159           160 
      1   0.551914D+00  0.237364D+01 -0.368154D+01 -0.751970D+00  0.517650D+00
      2  -0.521651D+00 -0.368154D+01  0.925707D+01  0.169213D+01 -0.758152D+00
      3  -0.503090D+00 -0.751970D+00  0.169213D+01  0.130283D+01 -0.199389D+00
               161           162           163           164           165 
      1  -0.758152D+00 -0.199389D+00  0.370467D+01  0.227951D+01  0.450627D-01
      2   0.180639D+01  0.382405D+00  0.227951D+01  0.244428D+01  0.247353D+00
      3   0.382405D+00  0.259817D+00  0.450627D-01  0.247353D+00  0.409237D+00
               166           167           168           169           170 
      1   0.273141D+01  0.281070D+01  0.419551D+00 -0.279039D-01  0.408926D+00
      2   0.281070D+01  0.568839D+01  0.750716D+00  0.408926D+00  0.946275D+00
      3   0.419551D+00  0.750716D+00  0.919949D+00 -0.935942D-01  0.197876D+00
               171 
      1  -0.935942D-01
      2   0.197876D+00
      3   0.909537D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.547257D+00  0.427008D+01  0.111820D+01  0.624219D+00 -0.569051D+01
      2   0.130632D+01  0.327304D+00  0.127153D+02  0.326909D+01 -0.232386D+01
      3  -0.112213D+01 -0.903370D+01 -0.127653D+01 -0.374718D+01  0.638640D+01
                 6             7             8             9            10 
      1  -0.788796D+01  0.243018D+01  0.343712D+00 -0.168854D+00  0.897277D-01
      2  -0.768092D+01  0.545213D+01 -0.796135D+01  0.422037D+01 -0.226851D+00
      3   0.187315D+01 -0.372940D+01  0.263561D+01  0.572922D+01  0.464638D+01
                11            12            13            14            15 
      1   0.335611D+00  0.405537D+00  0.886949D+00  0.113554D+01 -0.328119D+01
      2   0.119124D+01 -0.370844D+01  0.104560D+01  0.573586D+01  0.956669D+00
      3   0.315124D+01 -0.592606D+00  0.118951D+02 -0.743861D+01 -0.788502D+01
                16            17            18            19            20 
      1  -0.169852D+01  0.298940D+00 -0.122646D+01  0.202628D+01 -0.219566D+01
      2  -0.138115D+02  0.538526D+01 -0.473963D+01  0.408603D+01 -0.188607D+01
      3   0.626361D+00 -0.937228D+01 -0.203538D+01 -0.245158D+01  0.237624D+01
                21            22            23            24            25 
      1  -0.784110D+00 -0.138881D+01  0.601291D+01  0.344424D+01 -0.358594D+00
      2  -0.291275D+01 -0.351604D+01  0.476839D+01  0.766823D+01 -0.186985D+01
      3   0.100122D+01  0.368997D+01 -0.473198D+01 -0.451575D+01  0.177861D+00
                26            27            28            29            30 
      1   0.482084D+01  0.454683D+01  0.423464D-01 -0.595151D+00  0.732737D+00
      2   0.346069D+01  0.905505D+01 -0.168032D+01  0.293156D+00  0.202968D+01
      3  -0.360112D+01 -0.388063D+01  0.333958D+01 -0.309134D+01 -0.147431D+00
                31            32            33            34            35 
      1  -0.939075D-01  0.141475D+01 -0.275850D+01  0.860995D+00  0.133582D+01
      2  -0.578699D+00 -0.328147D+01 -0.391241D+01 -0.376892D-01 -0.294191D+01
      3   0.174679D+01  0.118273D+02  0.374985D+01  0.101110D+01  0.493062D+01
                36            37            38            39            40 
      1  -0.748351D+00 -0.240707D+01 -0.167628D+01 -0.140240D+01  0.810066D-01
      2  -0.225488D+01 -0.703943D+01 -0.723334D+00  0.111241D+02  0.120049D+00
      3   0.277692D+01 -0.140304D+02 -0.623987D+01  0.365809D+01 -0.447039D+00
                41            42            43            44            45 
      1   0.580133D+01  0.193452D+01  0.558985D+00  0.639525D+01 -0.511372D+01
      2  -0.641468D+01 -0.282234D+01  0.256828D+01 -0.416512D+01  0.175249D+02
      3   0.126373D+02  0.826440D+01  0.289023D+01  0.824085D+01  0.402396D+01
                46            47            48            49            50 
      1   0.539098D+00  0.274033D+00  0.294590D+00  0.854786D+00 -0.220551D+01
      2   0.214531D+01 -0.135586D+01 -0.104481D+01 -0.100141D+01 -0.828346D+00
      3  -0.172211D+01  0.520222D+01  0.778647D+00  0.168298D+02 -0.169153D+01
                51            52            53            54            55 
      1   0.134837D+01  0.995007D+00  0.103833D+02  0.199422D+01 -0.136021D+01
      2   0.330901D+00 -0.164847D+02 -0.294330D+00 -0.107332D+01  0.145675D+01
      3   0.235079D+01 -0.611357D-01  0.865439D+00 -0.753115D+00 -0.346182D+01
                56            57            58            59            60 
      1  -0.315284D-01  0.424079D+00  0.121310D+00 -0.780941D+01 -0.545840D+01
      2   0.777632D+00 -0.418596D+00  0.455752D+00  0.361323D+01  0.484144D+01
      3   0.735757D+00  0.382394D+00  0.352836D+01 -0.177453D+02 -0.423549D+01
                61            62            63            64            65 
      1  -0.427444D-01 -0.185464D+01 -0.240458D+01  0.729515D+00  0.124922D+01
      2  -0.119435D+01  0.311305D+01  0.171591D+01 -0.368296D+01  0.563259D+00
      3   0.167632D+01 -0.648065D+01 -0.404019D+01 -0.305856D-01  0.936138D+00
                66            67            68            69            70 
      1   0.135615D+01  0.531912D+00 -0.413889D+00 -0.684559D+00  0.661604D+00
      2  -0.552540D+01 -0.160889D+00 -0.202085D+01  0.169038D+01 -0.480164D+01
      3  -0.140424D+01  0.152159D+01 -0.181507D+01  0.196780D+01 -0.137348D+01
                71            72            73            74            75 
      1   0.298816D+01  0.519053D+01  0.141474D+01 -0.175981D+01 -0.714686D+00
      2   0.301168D+01 -0.221893D+02  0.767257D+01 -0.591381D+00  0.534376D+01
      3   0.305443D+01 -0.404401D+01  0.927552D+01 -0.721945D+01 -0.816430D+00
                76            77            78            79            80 
      1  -0.109132D+01  0.193001D+00 -0.822755D+00 -0.596870D+00  0.242106D+00
      2  -0.704233D+00  0.141271D+01 -0.141827D+01  0.114695D+01  0.152183D+00
      3  -0.306705D+01  0.113091D+01 -0.785380D+00 -0.843266D+00 -0.841111D+00
                81            82            83            84            85 
      1   0.141173D+00 -0.817558D+00 -0.873015D+00  0.177476D+01 -0.121903D+01
      2  -0.133627D+01 -0.277915D+01  0.148241D+01 -0.116088D+01  0.138259D+01
      3   0.274394D+00  0.496062D+01 -0.421218D+01 -0.148157D+01  0.351150D+01
                86            87            88            89            90 
      1   0.375591D+00 -0.258183D+01  0.416342D+01  0.740669D+00 -0.504444D+00
      2   0.970690D+00  0.152088D+01 -0.126686D+02  0.177192D+01  0.205914D+01
      3  -0.582138D+01 -0.667718D+00 -0.169068D+01  0.759711D-01 -0.504657D+01
                91            92            93            94            95 
      1  -0.261850D-01  0.376368D+00 -0.240889D+01  0.117716D+01 -0.929114D-01
      2   0.103434D+01  0.129990D+01  0.237306D+01 -0.110530D+01 -0.273662D+01
      3  -0.339113D+01 -0.974303D+01 -0.168646D+01  0.648109D+01 -0.119330D+01
                96            97            98            99           100 
      1  -0.199676D+01 -0.663252D+01  0.393373D+01  0.836299D+00  0.113654D+00
      2   0.546395D+01 -0.335084D+01  0.961578D+01  0.408071D+01 -0.864653D+00
      3   0.203150D+01  0.879369D+00  0.287733D+01 -0.420057D+01  0.238394D+01
               101           102           103           104           105 
      1   0.176425D+00  0.103875D+01 -0.182890D-01 -0.308625D+01  0.230495D+01
      2  -0.387632D+00  0.755312D+01 -0.419677D+01 -0.182194D+00 -0.127313D+01
      3  -0.668396D+01  0.213483D+00  0.115383D+02  0.178090D+01 -0.536527D+00
               106           107           108           109           110 
      1   0.225023D+01  0.109248D+02  0.269577D+01  0.608407D+00 -0.193104D+00
      2   0.739003D+01 -0.214511D+01 -0.166503D+01  0.170228D+01  0.271723D+01
      3   0.362911D+01 -0.589151D+00  0.751865D+00 -0.269855D+01 -0.129575D+02
               111           112           113           114           115 
      1   0.197959D+01 -0.995057D+00  0.443189D+00 -0.331060D+01  0.489134D+01
      2   0.555537D+00  0.125096D+01  0.288730D+01 -0.492884D+01 -0.804122D+01
      3  -0.240264D+01  0.402070D+01  0.890774D+00 -0.199218D+01 -0.188163D+00
               116           117           118           119           120 
      1   0.850943D+00 -0.100131D+01 -0.127929D+01 -0.729810D-01 -0.316462D+01
      2  -0.909987D+01 -0.380945D+01 -0.173889D+01  0.275352D+00 -0.157041D+01
      3  -0.242420D+01  0.479446D+01 -0.475413D+00  0.323013D+00  0.740769D+00
               121           122           123           124           125 
      1   0.747307D+00 -0.518027D+00 -0.173454D+01 -0.686796D+01  0.297382D+01
      2   0.343860D+01 -0.835832D+00 -0.924874D+00 -0.121066D+02 -0.427927D+00
      3   0.118684D+01  0.572941D+01 -0.343607D+00 -0.175147D+01  0.166667D+00
               126           127           128           129           130 
      1  -0.145898D+00  0.166352D-01 -0.268821D+00  0.156476D+01  0.196458D-01
      2  -0.650854D+00  0.129666D+01 -0.850870D+00  0.141226D+00 -0.122718D+01
      3   0.565749D+01 -0.602848D+01  0.348728D+01  0.936476D+00  0.700069D+01
               131           132           133           134           135 
      1   0.777764D+00 -0.432713D+01 -0.399301D+00  0.218658D+01 -0.335626D+00
      2   0.182011D+01 -0.162948D+00 -0.185550D+01  0.458330D+00 -0.958266D-01
      3  -0.858911D+01 -0.192603D+01  0.127876D+01 -0.152367D+01 -0.261664D+00
               136           137           138           139           140 
      1   0.192644D+00  0.579037D+00 -0.235979D+01 -0.958374D-01  0.454195D+00
      2  -0.676056D-01  0.848712D-01  0.306141D+01  0.680012D+00  0.128841D+01
      3  -0.147672D+01 -0.508709D+01 -0.272887D+00 -0.328588D+01 -0.108819D+02
               141           142           143           144           145 
      1  -0.338344D+01  0.836149D+00  0.165567D+01 -0.395524D+00 -0.103494D+00
      2   0.367400D+01 -0.934531D+00 -0.401159D+00  0.492638D+00 -0.870871D+00
      3  -0.128122D+01 -0.708647D+00 -0.209774D+01 -0.214082D+00  0.541439D+00
               146           147           148           149           150 
      1  -0.215124D+00  0.695371D+00  0.661975D-01 -0.348733D-01 -0.436696D+00
      2  -0.893176D-01  0.656284D+01  0.136661D+01 -0.284071D+00 -0.933401D+00
      3  -0.563827D+01  0.170649D+00 -0.351593D+01  0.145792D+01  0.219268D+00
               151           152           153           154           155 
      1  -0.386393D+00  0.582410D+00  0.979808D-02 -0.167877D+00 -0.143867D+00
      2  -0.271412D+01  0.160085D+00 -0.311396D+00 -0.293777D+00  0.432287D+00
      3  -0.144020D+01  0.525978D+00 -0.270969D-01  0.711058D+00 -0.270718D+01
               156           157           158           159           160 
      1   0.171696D+01  0.259323D+00  0.333177D+00 -0.460524D+01 -0.588241D+00
      2   0.161101D+01  0.445116D+00 -0.237163D+01 -0.337059D+01 -0.594930D+00
      3  -0.299010D+00 -0.102438D+01  0.134483D+02  0.217141D+01 -0.244832D+00
               161           162           163           164           165 
      1   0.198476D+01 -0.561701D+00  0.935891D+00  0.764557D+00 -0.226699D+01
      2   0.544505D-01 -0.596174D+00 -0.218895D+01 -0.830924D+00  0.826120D+00
      3   0.269587D+01  0.484283D+00  0.105086D+02  0.363116D+01 -0.229363D+00
               166           167           168           169           170 
      1   0.265634D+00  0.180667D+00 -0.331842D+01  0.444994D+00  0.198370D+01
      2  -0.963849D+00 -0.121714D+01  0.128129D+01 -0.182582D+01 -0.268984D+00
      3   0.787126D+01  0.514120D+01  0.807116D+00 -0.137852D+00  0.861157D+00
               171 
      1  -0.807171D-01
      2   0.306997D+00
      3   0.107258D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.209555D+02 -0.251138D+01  0.165820D+01 -0.471192D+01  0.423862D+01
      2  -0.140615D+02 -0.535393D+00 -0.664904D+01  0.169582D+01  0.466749D+01
      3  -0.689397D+01  0.304677D+01  0.499084D+01  0.301610D+01 -0.890611D+01
      4  -0.470941D+01  0.148261D+02 -0.292460D+01  0.164560D+02 -0.153496D+02
      5   0.146040D+02 -0.331324D+01  0.219517D+02 -0.835012D+01  0.281367D+01
      6  -0.394974D+01  0.564275D+01 -0.121064D+01  0.471998D+01 -0.102904D+02
                 6             7             8             9            10 
      1   0.802243D+01  0.429012D+01  0.559464D+01 -0.998420D-01  0.653058D+01
      2   0.405605D+01 -0.128673D+02  0.330658D+01 -0.113575D+02 -0.297516D+01
      3  -0.120785D+02  0.857716D+01 -0.890122D+01  0.114573D+02 -0.355542D+01
      4   0.843645D+00 -0.550732D+01 -0.237765D+01 -0.144644D+02 -0.224912D+01
      5  -0.129343D+02  0.298020D+02 -0.122476D+02  0.198194D+02 -0.470815D+01
      6   0.307769D+01 -0.429208D+01  0.736421D+01 -0.128517D+02  0.369304D+01
                11            12            13            14            15 
      1  -0.300958D+01  0.141508D+01 -0.967136D+01  0.907981D+00  0.582325D+01
      2   0.116013D+01  0.880684D+00  0.720085D+01 -0.628759D+01 -0.100946D+02
      3   0.184945D+01 -0.229577D+01  0.247051D+01  0.537961D+01  0.427133D+01
      4  -0.128455D+02  0.625696D+01 -0.128376D+02  0.180483D+02  0.153247D+02
      5   0.641832D+01 -0.164930D+02  0.128666D+02  0.147422D+02 -0.276560D+00
      6   0.174297D+01  0.511181D+00  0.590657D+01 -0.551194D+01 -0.504963D+01
                16            17            18            19            20 
      1  -0.359668D+01  0.474739D+01 -0.560447D+01 -0.790367D+00  0.186873D+01
      2   0.995884D+01 -0.491051D+01  0.657716D+01  0.291463D+00  0.378558D+00
      3  -0.636216D+01  0.163128D+00 -0.972689D+00  0.498904D+00 -0.224729D+01
      4   0.124283D+02  0.150936D+02  0.730758D+01  0.125933D+01 -0.343919D+01
      5  -0.343990D+02  0.635146D+01 -0.848588D+01  0.557148D+00 -0.572407D+00
      6   0.362124D+01 -0.112345D+02  0.517182D+01  0.127092D+01 -0.212290D+01
                21            22            23            24            25 
      1   0.552348D+01  0.551553D+01 -0.601341D+01 -0.640861D+01  0.509906D+01
      2   0.723007D+00 -0.334073D+01 -0.357161D+00 -0.391233D+01 -0.282097D+01
      3  -0.624648D+01 -0.217480D+01  0.637057D+01  0.103209D+02 -0.227809D+01
      4  -0.170136D+01 -0.839644D-01  0.889219D+01  0.720484D+01 -0.131767D+01
      5  -0.313278D+01  0.386292D+01  0.548881D+01  0.110296D+02  0.530501D+01
      6  -0.117568D+01 -0.484744D+00  0.696717D+01  0.780594D+01 -0.809465D+00
                26            27            28            29            30 
      1  -0.363550D+01 -0.893085D+01  0.276214D+01 -0.316839D+01 -0.170108D+01
      2  -0.277771D+01 -0.642013D+01  0.139858D+01  0.317848D+00  0.461681D+00
      3   0.641321D+01  0.153510D+02 -0.416072D+01  0.285055D+01  0.123940D+01
      4   0.712510D+01  0.535267D+01 -0.735232D+01  0.107717D+02  0.212263D+01
      5   0.410264D+01  0.131437D+02 -0.351054D+01  0.201367D+01  0.578396D+01
      6   0.648090D+01  0.438060D+01  0.272786D+01 -0.186232D+01 -0.679601D+00
                31            32            33            34            35 
      1  -0.267760D+01 -0.987569D+01 -0.318914D+01 -0.153868D+01 -0.410479D+01
      2  -0.165121D+01  0.189822D+02  0.495618D+01  0.154658D+00  0.352396D+01
      3   0.432881D+01 -0.910649D+01 -0.176704D+01  0.138402D+01  0.580830D+00
      4   0.127069D+02 -0.267448D+02 -0.821395D+01  0.298112D+01 -0.998965D+01
      5   0.304142D+01 -0.735812D+01 -0.772320D+01  0.706275D+01 -0.632120D+01
      6  -0.299977D+01  0.105641D+02  0.786303D+01 -0.246618D+01  0.920561D+01
                36            37            38            39            40 
      1  -0.352954D+01 -0.521294D+02  0.697984D+01  0.103416D+02  0.169531D+02
      2   0.102918D+01  0.308326D+02 -0.238584D+01  0.979107D+00 -0.101902D+02
      3   0.250036D+01  0.212969D+02 -0.459400D+01 -0.113207D+02 -0.676294D+01
      4  -0.717137D+01  0.862663D+01  0.105521D+02 -0.489337D+01  0.991015D+01
      5  -0.587609D+01  0.114846D+02 -0.730466D+01  0.152699D+02 -0.123416D+02
      6   0.640154D+01 -0.533445D+01 -0.398279D+01  0.570173D+01 -0.492380D+01
                41            42            43            44            45 
      1   0.747959D+01 -0.381807D+01  0.364434D+00 -0.241435D+01  0.240112D+02
      2  -0.147324D+02 -0.323627D+01  0.165985D+01 -0.657441D+01  0.939538D+00
      3   0.725277D+01  0.705434D+01 -0.202428D+01  0.898876D+01 -0.249507D+02
      4  -0.161410D+02 -0.162617D+02 -0.841969D+01 -0.157168D+02  0.839653D+00
      5  -0.173288D+02  0.575033D+00  0.141350D+02 -0.189406D+01  0.142905D+02
      6  -0.233296D+01  0.494826D+01  0.385442D+01  0.353093D+01  0.344671D+01
                46            47            48            49            50 
      1  -0.169131D+02  0.391004D+01  0.198671D+01  0.106466D+01 -0.786043D+01
      2   0.341175D+01 -0.300006D+01 -0.133773D+01  0.351699D+01  0.143626D+02
      3   0.135014D+02 -0.909985D+00 -0.648978D+00 -0.458165D+01 -0.650220D+01
      4  -0.194082D+01  0.431824D+01 -0.595006D+00 -0.872119D+01  0.121101D+01
      5   0.826219D+01 -0.791518D+00  0.373509D+01 -0.633156D+01 -0.150532D+01
      6  -0.351050D+01  0.111522D+00 -0.258912D+01  0.168084D+01  0.421804D+01
                51            52            53            54            55 
      1  -0.884108D+00  0.166560D+01 -0.150948D+01 -0.703004D+01  0.509578D+01
      2   0.654477D+01  0.185630D+01  0.313291D+01 -0.353969D+01 -0.505772D+00
      3  -0.566066D+01 -0.352190D+01 -0.162343D+01  0.105697D+02 -0.459001D+01
      4  -0.187023D+01 -0.443613D+01 -0.128167D+01 -0.388066D+00  0.223791D+01
      5   0.134004D+00  0.725859D+01 -0.429136D+00  0.546796D+00  0.719762D+00
      6  -0.181244D+01 -0.110535D+01  0.561468D+01 -0.263874D+01  0.109182D+01
                56            57            58            59            60 
      1   0.295392D+01 -0.240586D+00  0.679405D+01 -0.977944D+01 -0.867567D+00
      2  -0.113037D+01 -0.415012D+00 -0.155486D+01  0.255472D+02  0.595548D+01
      3  -0.182355D+01  0.655598D+00 -0.523919D+01 -0.157678D+02 -0.508791D+01
      4   0.236218D+01  0.196553D+01  0.100369D+02  0.316995D+02  0.528879D+01
      5   0.983780D+00 -0.122400D+01 -0.197201D+01  0.612755D+01  0.917904D+01
      6   0.414625D+00 -0.115533D+01 -0.101897D+01 -0.378372D+01  0.458745D+01
                61            62            63            64            65 
      1   0.459500D+01 -0.440593D+00 -0.449121D+01 -0.447787D+00  0.901197D+00
      2  -0.198333D+01  0.585549D+01  0.300551D+01 -0.275007D+01 -0.513489D+00
      3  -0.261167D+01 -0.541490D+01  0.148570D+01  0.319786D+01 -0.387708D+00
      4   0.537037D+01  0.114138D+02  0.523657D+01 -0.140877D+01 -0.161624D+01
      5  -0.485150D-01  0.589175D+01  0.410247D+01 -0.117315D+01  0.103172D+01
      6   0.186152D-02  0.353597D+01  0.270237D+01 -0.642630D+00  0.247211D+01
                66            67            68            69            70 
      1  -0.104775D+02 -0.127462D+01 -0.497458D+01  0.278602D+01 -0.908379D+01
      2  -0.917276D+00  0.921879D+00  0.216594D+01 -0.113016D+01  0.481414D+01
      3   0.113948D+02  0.352739D+00  0.280865D+01 -0.165587D+01  0.426965D+01
      4  -0.400828D+00  0.124453D+01  0.298656D+01 -0.310956D+01 -0.348363D+01
      5  -0.286247D+01  0.731224D+00 -0.243573D+01  0.224766D+01  0.828869D+01
      6  -0.279827D+01  0.366517D+00 -0.222460D+01  0.768601D+01  0.907301D-01
                71            72            73            74            75 
      1   0.396444D+01 -0.265441D+02  0.856064D+02 -0.454971D+01 -0.710860D+01
      2  -0.309511D+00 -0.144241D+02 -0.474627D+02  0.367073D+01  0.672965D+01
      3  -0.365493D+01  0.409682D+02 -0.381436D+02  0.878979D+00  0.378947D+00
      4  -0.556159D+01  0.308368D+01  0.395364D+01  0.109213D+02 -0.492061D+00
      5   0.518419D+01 -0.342202D+02 -0.249853D+02  0.931068D+00  0.137741D+02
      6   0.793249D+01 -0.124284D+02  0.968371D+00 -0.294330D+01  0.106012D+01
                76            77            78            79            80 
      1  -0.153502D+02  0.636649D+01  0.142397D+01  0.496667D+00  0.306122D+00
      2   0.906863D+01 -0.136858D+01 -0.126318D+01  0.174280D+01  0.442190D+00
      3   0.628153D+01 -0.499791D+01 -0.160794D+00 -0.223946D+01 -0.748312D+00
      4   0.924065D+01 -0.236445D+01  0.559004D+00  0.598800D+00  0.128580D+01
      5   0.570196D+01 -0.600766D+00 -0.372139D+01  0.110907D+02 -0.352318D+00
      6  -0.241348D+01  0.127890D+01  0.860663D+00  0.458019D+00  0.105594D+01
                81            82            83            84            85 
      1   0.419541D+01  0.124736D+02  0.101368D+02  0.151119D+01 -0.893904D+00
      2  -0.492663D+01 -0.836616D+01 -0.708602D+01  0.136040D+01  0.870792D+01
      3   0.731218D+00 -0.410741D+01 -0.305078D+01 -0.287159D+01 -0.781401D+01
      4  -0.456458D-01  0.592726D+01 -0.174268D+02 -0.315577D+01  0.955532D+01
      5  -0.497836D+01 -0.252049D+01 -0.255718D+01 -0.502561D+01  0.177533D+00
      6  -0.624178D+00 -0.102156D+01  0.250554D+00 -0.409804D+01  0.464762D+01
                86            87            88            89            90 
      1   0.848493D+01  0.405517D+01 -0.174175D+01  0.369892D+01 -0.152231D+02
      2  -0.135714D+02 -0.580734D+01  0.361167D+01 -0.934667D+01  0.148648D+01
      3   0.508650D+01  0.175218D+01 -0.186992D+01  0.564775D+01  0.137366D+02
      4   0.144277D+02  0.199245D+01 -0.452432D+00  0.198167D+01  0.649565D+01
      5   0.210065D+01  0.853890D+00  0.402081D+01  0.570179D+01  0.298410D+01
      6  -0.807917D+01  0.469478D+01 -0.197083D+01  0.143340D+02  0.363342D+01
                91            92            93            94            95 
      1  -0.121381D+01 -0.228835D+02 -0.555783D+01  0.265207D+02  0.425167D+01
      2  -0.175301D+01  0.144881D+02  0.124825D+00 -0.253185D+02 -0.747920D+01
      3   0.296682D+01  0.839546D+01  0.543300D+01 -0.120214D+01  0.322753D+01
      4  -0.148482D+02  0.304976D+01  0.124984D+01  0.626719D+00 -0.105050D+02
      5  -0.416472D-01  0.482594D-01  0.494247D+01 -0.516111D+01 -0.731371D+01
      6  -0.449094D-02  0.166637D+01  0.633602D+01 -0.673429D+01 -0.629855D+01
                96            97            98            99           100 
      1   0.894569D+00  0.587540D+01  0.192819D+01  0.182711D+01 -0.123397D+02
      2  -0.126349D+01 -0.863924D+01 -0.617181D+01 -0.887237D+01  0.774980D+01
      3   0.368924D+00  0.276385D+01  0.424361D+01  0.704526D+01  0.458990D+01
      4  -0.834349D+01 -0.305470D+01 -0.809599D+01  0.142912D+02  0.262097D+01
      5   0.114162D+02  0.198149D+02  0.145032D+02  0.885874D+01  0.216511D+01
      6   0.392060D+01  0.664921D+01  0.120709D+02  0.156540D+00  0.922113D+00
               101           102           103           104           105 
      1   0.483956D+01  0.297702D+01 -0.857772D+01 -0.202385D+02 -0.719398D+01
      2  -0.343464D+01 -0.975739D+00  0.784702D+01  0.182829D+02  0.915709D+01
      3  -0.140492D+01 -0.200128D+01  0.730694D+00  0.195560D+01 -0.196310D+01
      4   0.220698D+02  0.643103D+00 -0.190861D+02  0.345163D+01  0.334218D+01
      5   0.413592D+00  0.176376D+02 -0.104890D+02  0.892102D+00 -0.217508D+01
      6   0.148156D+00 -0.234738D+01  0.295752D+01  0.447270D+01 -0.407916D+01
               106           107           108           109           110 
      1   0.784466D+00 -0.700955D+01  0.140303D+02  0.945773D+01  0.204251D+02
      2   0.141747D+01  0.536458D+01 -0.168239D+02 -0.884857D+01 -0.131783D+02
      3  -0.220194D+01  0.164497D+01  0.279355D+01 -0.609157D+00 -0.724683D+01
      4  -0.113778D+02  0.177769D+01 -0.312866D+01  0.151823D+02 -0.565844D+01
      5   0.354554D+02 -0.312326D+01 -0.302905D+01  0.403396D+01 -0.682073D+00
      6  -0.212177D+01  0.620673D+01 -0.401839D+01 -0.395581D+01 -0.161678D+00
               111           112           113           114           115 
      1   0.321552D+01 -0.205231D+02  0.110543D+02  0.328409D+01 -0.388351D+01
      2  -0.319782D+00  0.187923D+02 -0.154420D+02 -0.592448D+01  0.619522D+01
      3  -0.289573D+01  0.173076D+01  0.438768D+01  0.264039D+01 -0.231171D+01
      4  -0.228195D+01  0.112595D+02  0.385551D+01  0.581156D+01 -0.127127D+01
      5  -0.183073D+01 -0.340483D+00  0.627471D+01 -0.106154D+02  0.133686D+02
      6  -0.446225D+01  0.440011D+01 -0.958760D+01  0.617747D+01 -0.586575D+01
               116           117           118           119           120 
      1   0.159680D+01 -0.615560D+01 -0.887035D+00 -0.172815D+02 -0.378351D+01
      2  -0.828819D+01 -0.419507D+01 -0.187950D+00  0.125408D+02 -0.427104D+00
      3   0.669139D+01  0.103507D+02  0.107499D+01  0.474078D+01  0.421062D+01
      4   0.792000D+01 -0.144592D+02 -0.107975D+02 -0.112084D+02 -0.549538D+00
      5  -0.146155D+02 -0.789196D+01 -0.326849D+01 -0.130867D+01 -0.287439D+01
      6   0.153360D+02  0.317310D+01  0.195481D+01  0.424515D+00  0.701862D+01
               121           122           123           124           125 
      1   0.453515D+01  0.237065D+01  0.304146D+01  0.192687D+00  0.395127D+01
      2  -0.136710D+02 -0.526884D+01 -0.301027D+01 -0.569590D+01 -0.612738D+01
      3   0.913587D+01  0.289819D+01 -0.311897D-01  0.550321D+01  0.217611D+01
      4   0.393930D+01 -0.135593D+02 -0.228096D+01  0.214914D+01 -0.146367D+01
      5   0.323752D+01 -0.216221D+01  0.147247D+01  0.194317D+01 -0.178219D+01
      6  -0.653012D+01 -0.459011D+01  0.371328D+01  0.518328D+01  0.108699D+02
               126           127           128           129           130 
      1  -0.145096D+02 -0.510622D+01  0.894382D+01  0.199747D+01  0.746743D+01
      2   0.153095D+01  0.652785D+01 -0.109609D+02 -0.151295D+01 -0.899679D+01
      3   0.129787D+02 -0.142163D+01  0.201710D+01 -0.484521D+00  0.152936D+01
      4  -0.283177D+01 -0.386997D+01  0.720084D+01  0.116908D+01  0.542265D+01
      5   0.285270D+00 -0.868428D+00  0.116454D+01  0.153288D+01  0.100595D+01
      6   0.473308D+00  0.198450D+01 -0.269585D+01 -0.236991D+01 -0.233456D+01
               131           132           133           134           135 
      1  -0.332285D+02 -0.638461D+01  0.151107D+01 -0.604573D+01 -0.262690D+01
      2   0.440995D+02  0.571434D+01 -0.188062D+01  0.734647D+01  0.297259D+01
      3  -0.108710D+02  0.670274D+00  0.369551D+00 -0.130074D+01 -0.345692D+00
      4   0.782774D+00  0.405094D+00  0.120562D+01  0.136528D+00 -0.115762D+01
      5   0.578710D+00  0.779979D-01  0.628875D+00 -0.426868D+00 -0.394366D+00
      6   0.103429D+02  0.839731D+01 -0.620276D+00  0.391109D+01  0.245437D+01
               136           137           138           139           140 
      1   0.223146D+02  0.134782D+02  0.227554D+01  0.955326D+01  0.325711D+01
      2  -0.456125D+01  0.991714D+00 -0.927259D+00  0.555068D+01  0.162780D+02
      3  -0.177534D+02 -0.144699D+02 -0.134828D+01 -0.151039D+02 -0.195351D+02
      4   0.326556D+02  0.299996D+02  0.393962D+01  0.331140D+02  0.430235D+02
      5   0.617364D+01  0.448069D+01  0.663901D+01  0.621913D+01  0.719141D+01
      6   0.244967D+01  0.215659D+01  0.343138D+01  0.385969D+01  0.545245D+01
               141           142           143           144           145 
      1   0.606879D+00  0.138012D+01  0.126005D+00  0.572626D-02  0.978396D+02
      2   0.623210D+00  0.867985D+00  0.242120D+01  0.873653D+00 -0.549423D+02
      3  -0.123009D+01 -0.224810D+01 -0.254720D+01 -0.879380D+00 -0.428973D+02
      4   0.628365D+01  0.552653D+01  0.686567D+01  0.290482D+01 -0.150504D+02
      5   0.639105D+01  0.257700D+01  0.248479D+01  0.157485D+01 -0.476166D+01
      6   0.627561D+01  0.176785D+01  0.258398D+01  0.179545D+01 -0.203345D+01
               146           147           148           149           150 
      1  -0.888167D+01 -0.379094D+01 -0.828657D+01  0.952209D+01  0.155749D+01
      2   0.424531D+01  0.254055D+01  0.354960D+01 -0.421645D+01 -0.131083D+01
      3   0.463636D+01  0.125039D+01  0.473697D+01 -0.530563D+01 -0.246654D+00
      4   0.106180D+02  0.346161D+00  0.158839D+02 -0.470250D+01 -0.960488D+00
      5   0.148993D+00  0.108424D+02  0.300013D+01 -0.886035D+00 -0.141989D+01
      6  -0.519544D-01 -0.802312D+00 -0.419478D+00 -0.129114D+00  0.163976D+01
               151           152           153           154           155 
      1  -0.408529D+01  0.159483D+01  0.291829D+01  0.535091D+01 -0.424423D+01
      2   0.219613D+01 -0.889637D+00 -0.185057D+01  0.337459D+01 -0.547417D+01
      3   0.188916D+01 -0.705189D+00 -0.106773D+01 -0.872550D+01  0.971840D+01
      4   0.315480D+01 -0.114513D+01 -0.645747D+00 -0.182219D+02  0.229084D+02
      5   0.234953D+01 -0.405990D+00 -0.929962D+00 -0.342513D+01  0.376032D+01
      6  -0.134534D+00  0.654583D+00  0.369793D+00  0.257812D+01 -0.288103D+01
               156           157           158           159           160 
      1  -0.876832D+00  0.447383D+00 -0.162433D+02 -0.307813D+01 -0.664416D-01
      2  -0.268951D+00 -0.110491D+02  0.381013D+02  0.464116D+01 -0.168710D+01
      3   0.114578D+01  0.106018D+02 -0.218580D+02 -0.156303D+01  0.175354D+01
      4   0.414071D+01  0.242198D+02 -0.463105D+02 -0.828484D+01  0.482115D+01
      5   0.445508D+01  0.430265D+01 -0.751924D+01 -0.607637D+01  0.196719D+01
      6  -0.273461D+01 -0.425387D+01  0.104036D+02  0.880445D+01 -0.179010D+01
               161           162           163           164           165 
      1  -0.282673D+01 -0.159362D+01 -0.326049D+01 -0.651560D+01 -0.131861D+01
      2   0.639710D+01  0.250766D+01  0.517854D+01  0.921029D+01  0.927761D+00
      3  -0.357037D+01 -0.914034D+00 -0.191805D+01 -0.269469D+01  0.390849D+00
      4  -0.911296D+01 -0.309670D+01  0.902867D+01  0.813711D+01  0.618896D+00
      5  -0.227495D+01 -0.175145D+01 -0.202688D+00  0.592848D+00  0.199208D+01
      6   0.391829D+01  0.269369D+01  0.811422D+00  0.167167D+01  0.236409D+01
               166           167           168           169           170 
      1  -0.758012D+01 -0.200800D+02 -0.330981D+01 -0.128165D+01 -0.316058D+01
      2   0.103123D+02  0.269571D+02  0.258206D+01  0.207619D+01  0.396666D+01
      3  -0.273218D+01 -0.687717D+01  0.727751D+00 -0.794545D+00 -0.806087D+00
      4   0.858675D+01  0.834206D+01  0.804044D+00  0.108483D+01  0.114525D+01
      5   0.838915D+00  0.900168D+00  0.156529D+01  0.853392D+00  0.696950D+00
      6   0.210900D+01  0.458634D+01  0.560239D+01  0.593405D+00  0.216883D+01
               171 
      1  -0.724813D+00
      2   0.141157D+01
      3  -0.686754D+00
      4   0.187732D+01
      5   0.486272D+00
      6   0.116672D+01
 Leave Link  716 at Mon Aug 16 21:45:50 2021, MaxMem=  5637144576 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.131474D+03  0.104369D+01 -0.146524D+01
      2   0.104369D+01  0.105541D+03  0.545805D+01
      3  -0.146524D+01  0.545805D+01  0.751134D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.566329D+00 -0.808246D+01 -0.263452D+01
      2   0.114268D+02 -0.107499D+02  0.797086D+01
      3   0.147810D+01  0.404910D+02  0.100332D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.898953D+02 -0.342774D+01  0.760529D+01
      2   0.302702D+02  0.104866D+02  0.733921D+01
      3   0.596252D+02 -0.705882D+01 -0.149445D+02
      4   0.163322D+02 -0.804311D+02 -0.269328D+02
      5  -0.172436D+02 -0.273371D+02  0.246300D+02
      6  -0.110480D+02 -0.150363D+02  0.993804D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.504969D+01 -0.868752D+00  0.213574D+01 -0.280380D+01  0.198272D+01
      2  -0.868752D+00  0.864303D+00 -0.477198D+00  0.198272D+01 -0.305325D+01
      3   0.213574D+01 -0.477198D+00  0.265145D+01 -0.118821D+01  0.426948D-01
                 6             7             8             9            10 
      1  -0.118821D+01  0.554374D+01 -0.953191D+00  0.370393D+01 -0.385588D+01
      2   0.426948D-01 -0.953191D+00 -0.126991D+01 -0.311377D+01  0.150386D+00
      3  -0.326927D+01  0.370393D+01 -0.311377D+01  0.260117D+01 -0.512742D+00
                11            12            13            14            15 
      1   0.150386D+00 -0.512742D+00 -0.377286D+00 -0.213749D+01  0.179620D+01
      2  -0.646124D+00  0.154760D+01 -0.213749D+01  0.398273D+01  0.312836D+01
      3   0.154760D+01 -0.239456D+01  0.179620D+01  0.312836D+01  0.151117D+00
                16            17            18            19            20 
      1  -0.457390D+01  0.192003D+01 -0.497012D+01 -0.629776D+00  0.355682D+00
      2   0.192003D+01  0.328598D+01  0.185469D+01  0.355682D+00 -0.465021D+00
      3  -0.497012D+01  0.185469D+01 -0.157349D+01  0.155749D-01 -0.390289D+00
                21            22            23            24            25 
      1   0.155749D-01  0.228085D+01 -0.502488D-01  0.367723D+00  0.173104D+01
      2  -0.390289D+00 -0.502488D-01  0.212287D+01  0.171689D+01 -0.181596D+00
      3  -0.126891D+01  0.367723D+00  0.171689D+01  0.313854D+01  0.415152D+00
                26            27            28            29            30 
      1  -0.181596D+00  0.415152D+00  0.297258D+00 -0.113842D+01 -0.681940D+00
      2   0.194688D+01  0.123127D+01 -0.113842D+01  0.118416D+01  0.178093D+00
      3   0.123127D+01  0.418241D+01 -0.681940D+00  0.178093D+00  0.771703D+00
                31            32            33            34            35 
      1  -0.261836D+01  0.186101D+01  0.380693D+00 -0.104589D+01  0.391267D+00
      2   0.186101D+01 -0.601375D+01 -0.181858D+01  0.391267D+00 -0.221708D+01
      3   0.380693D+00 -0.181858D+01 -0.185717D+01  0.110967D+01 -0.164714D+01
                36            37            38            39            40 
      1   0.110967D+01 -0.837623D+01  0.196300D+01  0.138663D+00  0.429602D+01
      2  -0.164714D+01  0.196300D+01  0.110198D+01 -0.115874D+01  0.121959D+01
      3  -0.149433D+01  0.138663D+00 -0.115874D+01  0.306399D+01 -0.138072D+01
                41            42            43            44            45 
      1   0.121959D+01 -0.138072D+01 -0.118675D+01 -0.139596D+01  0.248309D+01
      2  -0.344099D+01 -0.287646D+01 -0.139596D+01 -0.271555D+01 -0.818164D+00
      3  -0.287646D+01 -0.213655D+00  0.248309D+01 -0.818164D+00  0.489573D+01
                46            47            48            49            50 
      1   0.176191D+02 -0.195055D+01  0.100287D+01 -0.317931D+01 -0.121389D+01
      2  -0.195055D+01  0.253214D+01  0.167978D-01 -0.121389D+01 -0.703680D+00
      3   0.100287D+01  0.167978D-01  0.222187D+01 -0.160602D+01 -0.440536D+00
                51            52            53            54            55 
      1  -0.160602D+01 -0.587271D+00 -0.105936D+01  0.392376D+01  0.443347D+00
      2  -0.440536D+00 -0.105936D+01 -0.231235D+00 -0.474134D+00  0.441584D+00
      3  -0.911484D-01  0.392376D+01 -0.474134D+00 -0.313364D+00  0.471258D+00
                56            57            58            59            60 
      1   0.441584D+00  0.471258D+00  0.206721D+01  0.902989D+00 -0.163492D+00
      2  -0.567104D-01  0.253312D+00  0.902989D+00  0.615865D+01  0.977139D+00
      3   0.253312D+00 -0.406557D+00 -0.163492D+00  0.977139D+00  0.180388D+01
                61            62            63            64            65 
      1   0.142913D+01  0.584797D+00 -0.174517D+00  0.458806D-02 -0.110677D+00
      2   0.584797D+00  0.209771D+01  0.117690D+01 -0.110677D+00 -0.527105D+00
      3  -0.174517D+00  0.117690D+01  0.619411D+00 -0.830683D+00  0.397958D+00
                66            67            68            69            70 
      1  -0.830683D+00 -0.428353D+00 -0.300457D-01  0.118679D+00 -0.188402D+01
      2   0.397958D+00 -0.300457D-01  0.710063D+00 -0.874264D+00 -0.211008D+00
      3  -0.206251D+01  0.118679D+00 -0.874264D+00  0.532910D+00  0.176622D+00
                71            72            73            74            75 
      1  -0.211008D+00  0.176622D+00  0.128625D+02 -0.430214D+00 -0.152200D+01
      2  -0.133079D+01  0.127368D+01 -0.430214D+00  0.118648D+01 -0.349014D-01
      3   0.127368D+01 -0.869518D+01 -0.152200D+01 -0.349014D-01  0.135587D+01
                76            77            78            79            80 
      1  -0.252991D+01  0.100659D+01  0.534432D+00 -0.407636D-01  0.154972D+00
      2   0.100659D+01 -0.277712D+00  0.162103D+00  0.154972D+00  0.314345D+00
      3   0.534432D+00  0.162103D+00 -0.540380D+00  0.105945D+01  0.405789D-01
                81            82            83            84            85 
      1   0.105945D+01 -0.506115D+01  0.262636D+01  0.473476D-01 -0.620236D+01
      2   0.405789D-01  0.262636D+01  0.256216D+01  0.245750D+00  0.239845D+00
      3  -0.766468D+00  0.473476D-01  0.245750D+00  0.120479D+01 -0.370621D+00
                86            87            88            89            90 
      1   0.239845D+00 -0.370621D+00 -0.108733D+01 -0.554614D+00  0.103439D+01
      2  -0.154508D+01  0.780108D+00 -0.554614D+00  0.107081D+01 -0.360305D+01
      3   0.780108D+00 -0.171196D+01  0.103439D+01 -0.360305D+01 -0.221872D+01
                91            92            93            94            95 
      1   0.217544D+01 -0.717731D+00  0.966578D-01 -0.567260D+01  0.784281D+00
      2  -0.717731D+00 -0.317562D+01 -0.730024D+00  0.784281D+00 -0.587705D+00
      3   0.966578D-01 -0.730024D+00 -0.166494D+01  0.579594D+00  0.115744D+01
                96            97            98            99           100 
      1   0.579594D+00 -0.120984D+01  0.627394D+00 -0.300248D+01 -0.566861D+01
      2   0.115744D+01  0.627394D+00  0.144165D+01 -0.325372D+01  0.174520D+00
      3  -0.177389D+01 -0.300248D+01 -0.325372D+01 -0.152858D+01 -0.257020D+00
               101           102           103           104           105 
      1   0.174520D+00 -0.257020D+00  0.763187D+00  0.576525D+00  0.142470D+01
      2  -0.329117D+01 -0.734204D-01  0.576525D+00 -0.180769D+00 -0.548208D+00
      3  -0.734204D-01 -0.291076D+01  0.142470D+01 -0.548208D+00  0.202733D+00
               106           107           108           109           110 
      1   0.900100D-01  0.120654D+01 -0.532968D+01  0.418730D+01 -0.603203D+00
      2   0.120654D+01 -0.157063D+00  0.483443D+00 -0.603203D+00 -0.214634D+01
      3  -0.532968D+01  0.483443D+00  0.561131D+00 -0.160688D+00  0.678010D-01
               111           112           113           114           115 
      1  -0.160688D+00  0.514731D+01 -0.286201D+00  0.283001D+00  0.112968D+01
      2   0.678010D-01 -0.286201D+00  0.137982D+01 -0.938291D+00  0.451673D+00
      3  -0.870029D+00  0.283001D+00 -0.938291D+00  0.205693D+01 -0.179051D+01
               116           117           118           119           120 
      1   0.451673D+00 -0.179051D+01 -0.408198D+01 -0.484874D+00 -0.114257D+00
      2  -0.117688D+01  0.384024D+01 -0.484874D+00  0.351485D+01  0.488887D+00
      3   0.384024D+01  0.233916D+01 -0.114257D+00  0.488887D+00  0.184436D+01
               121           122           123           124           125 
      1   0.821723D+01  0.885681D-01  0.249991D+00  0.176373D+01 -0.314484D-01
      2   0.885681D-01  0.120611D+01 -0.536883D+00 -0.314484D-01 -0.113946D+01
      3   0.249991D+00 -0.536883D+00  0.144501D+01  0.193474D+01  0.306805D+01
               126           127           128           129           130 
      1   0.193474D+01  0.159801D+01 -0.173723D+01 -0.380191D+00 -0.162497D+01
      2   0.306805D+01 -0.173723D+01  0.228751D+01  0.444626D+00  0.196865D+01
      3   0.139475D+01 -0.380191D+00  0.444626D+00  0.333112D+00  0.430272D+00
               131           132           133           134           135 
      1   0.196865D+01  0.430272D+00 -0.426692D+00  0.482145D+00  0.627864D-03
      2  -0.864449D+01 -0.148932D+01  0.482145D+00 -0.158064D+01 -0.436796D+00
      3  -0.148932D+01 -0.125316D+01  0.627864D-03 -0.436796D+00 -0.250123D+00
               136           137           138           139           140 
      1  -0.500443D+01 -0.381258D+01 -0.632286D+00 -0.379405D+01 -0.437790D+01
      2  -0.381258D+01 -0.357665D+01 -0.472739D+00 -0.437790D+01 -0.654334D+01
      3  -0.632286D+00 -0.472739D+00 -0.723063D+00 -0.763053D+00 -0.981418D+00
               141           142           143           144           145 
      1  -0.763053D+00 -0.638415D+00 -0.717920D+00 -0.204596D+00 -0.130107D+02
      2  -0.981418D+00 -0.717920D+00 -0.119485D+01 -0.231947D+00  0.131495D+01
      3  -0.100495D+01 -0.204596D+00 -0.231947D+00 -0.201920D+00  0.586713D+00
               146           147           148           149           150 
      1   0.131495D+01  0.586713D+00  0.135413D+01 -0.166417D+01 -0.360749D+00
      2  -0.100811D+01 -0.292085D-01 -0.166417D+01  0.485068D+00  0.963767D-01
      3  -0.292085D-01 -0.105197D+01 -0.360749D+00  0.963767D-01  0.161687D+00
               151           152           153           154           155 
      1   0.503793D+00 -0.364489D+00 -0.765456D-01 -0.225312D+01  0.254822D+01
      2  -0.364489D+00  0.103402D+00  0.295769D-01  0.254822D+01 -0.278501D+01
      3  -0.765456D-01  0.295769D-01  0.976555D-01  0.551914D+00 -0.521651D+00
               156           157           158           159           160 
      1   0.551914D+00  0.237364D+01 -0.368154D+01 -0.751970D+00  0.517650D+00
      2  -0.521651D+00 -0.368154D+01  0.925707D+01  0.169213D+01 -0.758152D+00
      3  -0.503090D+00 -0.751970D+00  0.169213D+01  0.130283D+01 -0.199389D+00
               161           162           163           164           165 
      1  -0.758152D+00 -0.199389D+00  0.370467D+01  0.227951D+01  0.450627D-01
      2   0.180639D+01  0.382405D+00  0.227951D+01  0.244428D+01  0.247353D+00
      3   0.382405D+00  0.259817D+00  0.450627D-01  0.247353D+00  0.409237D+00
               166           167           168           169           170 
      1   0.273141D+01  0.281070D+01  0.419551D+00 -0.279039D-01  0.408926D+00
      2   0.281070D+01  0.568839D+01  0.750716D+00  0.408926D+00  0.946275D+00
      3   0.419551D+00  0.750716D+00  0.919949D+00 -0.935942D-01  0.197876D+00
               171 
      1  -0.935942D-01
      2   0.197876D+00
      3   0.909537D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.547257D+00  0.427008D+01  0.111820D+01  0.624219D+00 -0.569051D+01
      2   0.130632D+01  0.327304D+00  0.127153D+02  0.326909D+01 -0.232386D+01
      3  -0.112213D+01 -0.903370D+01 -0.127653D+01 -0.374718D+01  0.638640D+01
                 6             7             8             9            10 
      1  -0.788796D+01  0.243018D+01  0.343712D+00 -0.168854D+00  0.897277D-01
      2  -0.768092D+01  0.545213D+01 -0.796135D+01  0.422037D+01 -0.226851D+00
      3   0.187315D+01 -0.372940D+01  0.263561D+01  0.572922D+01  0.464638D+01
                11            12            13            14            15 
      1   0.335611D+00  0.405537D+00  0.886949D+00  0.113554D+01 -0.328119D+01
      2   0.119124D+01 -0.370844D+01  0.104560D+01  0.573586D+01  0.956669D+00
      3   0.315124D+01 -0.592606D+00  0.118951D+02 -0.743861D+01 -0.788502D+01
                16            17            18            19            20 
      1  -0.169852D+01  0.298940D+00 -0.122646D+01  0.202628D+01 -0.219566D+01
      2  -0.138115D+02  0.538526D+01 -0.473963D+01  0.408603D+01 -0.188607D+01
      3   0.626361D+00 -0.937228D+01 -0.203538D+01 -0.245158D+01  0.237624D+01
                21            22            23            24            25 
      1  -0.784110D+00 -0.138881D+01  0.601291D+01  0.344424D+01 -0.358594D+00
      2  -0.291275D+01 -0.351604D+01  0.476839D+01  0.766823D+01 -0.186985D+01
      3   0.100122D+01  0.368997D+01 -0.473198D+01 -0.451575D+01  0.177861D+00
                26            27            28            29            30 
      1   0.482084D+01  0.454683D+01  0.423464D-01 -0.595151D+00  0.732737D+00
      2   0.346069D+01  0.905505D+01 -0.168032D+01  0.293156D+00  0.202968D+01
      3  -0.360112D+01 -0.388063D+01  0.333958D+01 -0.309134D+01 -0.147431D+00
                31            32            33            34            35 
      1  -0.939075D-01  0.141475D+01 -0.275850D+01  0.860995D+00  0.133582D+01
      2  -0.578699D+00 -0.328147D+01 -0.391241D+01 -0.376892D-01 -0.294191D+01
      3   0.174679D+01  0.118273D+02  0.374985D+01  0.101110D+01  0.493062D+01
                36            37            38            39            40 
      1  -0.748351D+00 -0.240707D+01 -0.167628D+01 -0.140240D+01  0.810066D-01
      2  -0.225488D+01 -0.703943D+01 -0.723334D+00  0.111241D+02  0.120049D+00
      3   0.277692D+01 -0.140304D+02 -0.623987D+01  0.365809D+01 -0.447039D+00
                41            42            43            44            45 
      1   0.580133D+01  0.193452D+01  0.558985D+00  0.639525D+01 -0.511372D+01
      2  -0.641468D+01 -0.282234D+01  0.256828D+01 -0.416512D+01  0.175249D+02
      3   0.126373D+02  0.826440D+01  0.289023D+01  0.824085D+01  0.402396D+01
                46            47            48            49            50 
      1   0.539098D+00  0.274033D+00  0.294590D+00  0.854786D+00 -0.220551D+01
      2   0.214531D+01 -0.135586D+01 -0.104481D+01 -0.100141D+01 -0.828346D+00
      3  -0.172211D+01  0.520222D+01  0.778647D+00  0.168298D+02 -0.169153D+01
                51            52            53            54            55 
      1   0.134837D+01  0.995007D+00  0.103833D+02  0.199422D+01 -0.136021D+01
      2   0.330901D+00 -0.164847D+02 -0.294330D+00 -0.107332D+01  0.145675D+01
      3   0.235079D+01 -0.611357D-01  0.865439D+00 -0.753115D+00 -0.346182D+01
                56            57            58            59            60 
      1  -0.315284D-01  0.424079D+00  0.121310D+00 -0.780941D+01 -0.545840D+01
      2   0.777632D+00 -0.418596D+00  0.455752D+00  0.361323D+01  0.484144D+01
      3   0.735757D+00  0.382394D+00  0.352836D+01 -0.177453D+02 -0.423549D+01
                61            62            63            64            65 
      1  -0.427444D-01 -0.185464D+01 -0.240458D+01  0.729515D+00  0.124922D+01
      2  -0.119435D+01  0.311305D+01  0.171591D+01 -0.368296D+01  0.563259D+00
      3   0.167632D+01 -0.648065D+01 -0.404019D+01 -0.305856D-01  0.936138D+00
                66            67            68            69            70 
      1   0.135615D+01  0.531912D+00 -0.413889D+00 -0.684559D+00  0.661604D+00
      2  -0.552540D+01 -0.160889D+00 -0.202085D+01  0.169038D+01 -0.480164D+01
      3  -0.140424D+01  0.152159D+01 -0.181507D+01  0.196780D+01 -0.137348D+01
                71            72            73            74            75 
      1   0.298816D+01  0.519053D+01  0.141474D+01 -0.175981D+01 -0.714686D+00
      2   0.301168D+01 -0.221893D+02  0.767257D+01 -0.591381D+00  0.534376D+01
      3   0.305443D+01 -0.404401D+01  0.927552D+01 -0.721945D+01 -0.816430D+00
                76            77            78            79            80 
      1  -0.109132D+01  0.193001D+00 -0.822755D+00 -0.596870D+00  0.242106D+00
      2  -0.704233D+00  0.141271D+01 -0.141827D+01  0.114695D+01  0.152183D+00
      3  -0.306705D+01  0.113091D+01 -0.785380D+00 -0.843266D+00 -0.841111D+00
                81            82            83            84            85 
      1   0.141173D+00 -0.817558D+00 -0.873015D+00  0.177476D+01 -0.121903D+01
      2  -0.133627D+01 -0.277915D+01  0.148241D+01 -0.116088D+01  0.138259D+01
      3   0.274394D+00  0.496062D+01 -0.421218D+01 -0.148157D+01  0.351150D+01
                86            87            88            89            90 
      1   0.375591D+00 -0.258183D+01  0.416342D+01  0.740669D+00 -0.504444D+00
      2   0.970690D+00  0.152088D+01 -0.126686D+02  0.177192D+01  0.205914D+01
      3  -0.582138D+01 -0.667718D+00 -0.169068D+01  0.759711D-01 -0.504657D+01
                91            92            93            94            95 
      1  -0.261850D-01  0.376368D+00 -0.240889D+01  0.117716D+01 -0.929114D-01
      2   0.103434D+01  0.129990D+01  0.237306D+01 -0.110530D+01 -0.273662D+01
      3  -0.339113D+01 -0.974303D+01 -0.168646D+01  0.648109D+01 -0.119330D+01
                96            97            98            99           100 
      1  -0.199676D+01 -0.663252D+01  0.393373D+01  0.836299D+00  0.113654D+00
      2   0.546395D+01 -0.335084D+01  0.961578D+01  0.408071D+01 -0.864653D+00
      3   0.203150D+01  0.879369D+00  0.287733D+01 -0.420057D+01  0.238394D+01
               101           102           103           104           105 
      1   0.176425D+00  0.103875D+01 -0.182890D-01 -0.308625D+01  0.230495D+01
      2  -0.387632D+00  0.755312D+01 -0.419677D+01 -0.182194D+00 -0.127313D+01
      3  -0.668396D+01  0.213483D+00  0.115383D+02  0.178090D+01 -0.536527D+00
               106           107           108           109           110 
      1   0.225023D+01  0.109248D+02  0.269577D+01  0.608407D+00 -0.193104D+00
      2   0.739003D+01 -0.214511D+01 -0.166503D+01  0.170228D+01  0.271723D+01
      3   0.362911D+01 -0.589151D+00  0.751865D+00 -0.269855D+01 -0.129575D+02
               111           112           113           114           115 
      1   0.197959D+01 -0.995057D+00  0.443189D+00 -0.331060D+01  0.489134D+01
      2   0.555537D+00  0.125096D+01  0.288730D+01 -0.492884D+01 -0.804122D+01
      3  -0.240264D+01  0.402070D+01  0.890774D+00 -0.199218D+01 -0.188163D+00
               116           117           118           119           120 
      1   0.850943D+00 -0.100131D+01 -0.127929D+01 -0.729810D-01 -0.316462D+01
      2  -0.909987D+01 -0.380945D+01 -0.173889D+01  0.275352D+00 -0.157041D+01
      3  -0.242420D+01  0.479446D+01 -0.475413D+00  0.323013D+00  0.740769D+00
               121           122           123           124           125 
      1   0.747307D+00 -0.518027D+00 -0.173454D+01 -0.686796D+01  0.297382D+01
      2   0.343860D+01 -0.835832D+00 -0.924874D+00 -0.121066D+02 -0.427927D+00
      3   0.118684D+01  0.572941D+01 -0.343607D+00 -0.175147D+01  0.166667D+00
               126           127           128           129           130 
      1  -0.145898D+00  0.166352D-01 -0.268821D+00  0.156476D+01  0.196458D-01
      2  -0.650854D+00  0.129666D+01 -0.850870D+00  0.141226D+00 -0.122718D+01
      3   0.565749D+01 -0.602848D+01  0.348728D+01  0.936476D+00  0.700069D+01
               131           132           133           134           135 
      1   0.777764D+00 -0.432713D+01 -0.399301D+00  0.218658D+01 -0.335626D+00
      2   0.182011D+01 -0.162948D+00 -0.185550D+01  0.458330D+00 -0.958266D-01
      3  -0.858911D+01 -0.192603D+01  0.127876D+01 -0.152367D+01 -0.261664D+00
               136           137           138           139           140 
      1   0.192644D+00  0.579037D+00 -0.235979D+01 -0.958374D-01  0.454195D+00
      2  -0.676056D-01  0.848712D-01  0.306141D+01  0.680012D+00  0.128841D+01
      3  -0.147672D+01 -0.508709D+01 -0.272887D+00 -0.328588D+01 -0.108819D+02
               141           142           143           144           145 
      1  -0.338344D+01  0.836149D+00  0.165567D+01 -0.395524D+00 -0.103494D+00
      2   0.367400D+01 -0.934531D+00 -0.401159D+00  0.492638D+00 -0.870871D+00
      3  -0.128122D+01 -0.708647D+00 -0.209774D+01 -0.214082D+00  0.541439D+00
               146           147           148           149           150 
      1  -0.215124D+00  0.695371D+00  0.661975D-01 -0.348733D-01 -0.436696D+00
      2  -0.893176D-01  0.656284D+01  0.136661D+01 -0.284071D+00 -0.933401D+00
      3  -0.563827D+01  0.170649D+00 -0.351593D+01  0.145792D+01  0.219268D+00
               151           152           153           154           155 
      1  -0.386393D+00  0.582410D+00  0.979808D-02 -0.167877D+00 -0.143867D+00
      2  -0.271412D+01  0.160085D+00 -0.311396D+00 -0.293777D+00  0.432287D+00
      3  -0.144020D+01  0.525978D+00 -0.270969D-01  0.711058D+00 -0.270718D+01
               156           157           158           159           160 
      1   0.171696D+01  0.259323D+00  0.333177D+00 -0.460524D+01 -0.588241D+00
      2   0.161101D+01  0.445116D+00 -0.237163D+01 -0.337059D+01 -0.594930D+00
      3  -0.299010D+00 -0.102438D+01  0.134483D+02  0.217141D+01 -0.244832D+00
               161           162           163           164           165 
      1   0.198476D+01 -0.561701D+00  0.935891D+00  0.764557D+00 -0.226699D+01
      2   0.544505D-01 -0.596174D+00 -0.218895D+01 -0.830924D+00  0.826120D+00
      3   0.269587D+01  0.484283D+00  0.105086D+02  0.363116D+01 -0.229363D+00
               166           167           168           169           170 
      1   0.265634D+00  0.180667D+00 -0.331842D+01  0.444994D+00  0.198370D+01
      2  -0.963849D+00 -0.121714D+01  0.128129D+01 -0.182582D+01 -0.268984D+00
      3   0.787126D+01  0.514120D+01  0.807116D+00 -0.137852D+00  0.861157D+00
               171 
      1  -0.807171D-01
      2   0.306997D+00
      3   0.107258D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.209555D+02 -0.251138D+01  0.165820D+01 -0.471192D+01  0.423862D+01
      2  -0.140615D+02 -0.535393D+00 -0.664904D+01  0.169582D+01  0.466749D+01
      3  -0.689397D+01  0.304677D+01  0.499084D+01  0.301610D+01 -0.890611D+01
      4  -0.470941D+01  0.148261D+02 -0.292460D+01  0.164560D+02 -0.153496D+02
      5   0.146040D+02 -0.331324D+01  0.219517D+02 -0.835012D+01  0.281367D+01
      6  -0.394974D+01  0.564275D+01 -0.121064D+01  0.471998D+01 -0.102904D+02
                 6             7             8             9            10 
      1   0.802243D+01  0.429012D+01  0.559464D+01 -0.998420D-01  0.653058D+01
      2   0.405605D+01 -0.128673D+02  0.330658D+01 -0.113575D+02 -0.297516D+01
      3  -0.120785D+02  0.857716D+01 -0.890122D+01  0.114573D+02 -0.355542D+01
      4   0.843645D+00 -0.550732D+01 -0.237765D+01 -0.144644D+02 -0.224912D+01
      5  -0.129343D+02  0.298020D+02 -0.122476D+02  0.198194D+02 -0.470815D+01
      6   0.307769D+01 -0.429208D+01  0.736421D+01 -0.128517D+02  0.369304D+01
                11            12            13            14            15 
      1  -0.300958D+01  0.141508D+01 -0.967136D+01  0.907981D+00  0.582325D+01
      2   0.116013D+01  0.880684D+00  0.720085D+01 -0.628759D+01 -0.100946D+02
      3   0.184945D+01 -0.229577D+01  0.247051D+01  0.537961D+01  0.427133D+01
      4  -0.128455D+02  0.625696D+01 -0.128376D+02  0.180483D+02  0.153247D+02
      5   0.641832D+01 -0.164930D+02  0.128666D+02  0.147422D+02 -0.276560D+00
      6   0.174297D+01  0.511181D+00  0.590657D+01 -0.551194D+01 -0.504963D+01
                16            17            18            19            20 
      1  -0.359668D+01  0.474739D+01 -0.560447D+01 -0.790367D+00  0.186873D+01
      2   0.995884D+01 -0.491051D+01  0.657716D+01  0.291463D+00  0.378558D+00
      3  -0.636216D+01  0.163128D+00 -0.972689D+00  0.498904D+00 -0.224729D+01
      4   0.124283D+02  0.150936D+02  0.730758D+01  0.125933D+01 -0.343919D+01
      5  -0.343990D+02  0.635146D+01 -0.848588D+01  0.557148D+00 -0.572407D+00
      6   0.362124D+01 -0.112345D+02  0.517182D+01  0.127092D+01 -0.212290D+01
                21            22            23            24            25 
      1   0.552348D+01  0.551553D+01 -0.601341D+01 -0.640861D+01  0.509906D+01
      2   0.723007D+00 -0.334073D+01 -0.357161D+00 -0.391233D+01 -0.282097D+01
      3  -0.624648D+01 -0.217480D+01  0.637057D+01  0.103209D+02 -0.227809D+01
      4  -0.170136D+01 -0.839644D-01  0.889219D+01  0.720484D+01 -0.131767D+01
      5  -0.313278D+01  0.386292D+01  0.548881D+01  0.110296D+02  0.530501D+01
      6  -0.117568D+01 -0.484744D+00  0.696717D+01  0.780594D+01 -0.809465D+00
                26            27            28            29            30 
      1  -0.363550D+01 -0.893085D+01  0.276214D+01 -0.316839D+01 -0.170108D+01
      2  -0.277771D+01 -0.642013D+01  0.139858D+01  0.317848D+00  0.461681D+00
      3   0.641321D+01  0.153510D+02 -0.416072D+01  0.285055D+01  0.123940D+01
      4   0.712510D+01  0.535267D+01 -0.735232D+01  0.107717D+02  0.212263D+01
      5   0.410264D+01  0.131437D+02 -0.351054D+01  0.201367D+01  0.578396D+01
      6   0.648090D+01  0.438060D+01  0.272786D+01 -0.186232D+01 -0.679601D+00
                31            32            33            34            35 
      1  -0.267760D+01 -0.987569D+01 -0.318914D+01 -0.153868D+01 -0.410479D+01
      2  -0.165121D+01  0.189822D+02  0.495618D+01  0.154658D+00  0.352396D+01
      3   0.432881D+01 -0.910649D+01 -0.176704D+01  0.138402D+01  0.580830D+00
      4   0.127069D+02 -0.267448D+02 -0.821395D+01  0.298112D+01 -0.998965D+01
      5   0.304142D+01 -0.735812D+01 -0.772320D+01  0.706275D+01 -0.632120D+01
      6  -0.299977D+01  0.105641D+02  0.786303D+01 -0.246618D+01  0.920561D+01
                36            37            38            39            40 
      1  -0.352954D+01 -0.521294D+02  0.697984D+01  0.103416D+02  0.169531D+02
      2   0.102918D+01  0.308326D+02 -0.238584D+01  0.979107D+00 -0.101902D+02
      3   0.250036D+01  0.212969D+02 -0.459400D+01 -0.113207D+02 -0.676294D+01
      4  -0.717137D+01  0.862663D+01  0.105521D+02 -0.489337D+01  0.991015D+01
      5  -0.587609D+01  0.114846D+02 -0.730466D+01  0.152699D+02 -0.123416D+02
      6   0.640154D+01 -0.533445D+01 -0.398279D+01  0.570173D+01 -0.492380D+01
                41            42            43            44            45 
      1   0.747959D+01 -0.381807D+01  0.364434D+00 -0.241435D+01  0.240112D+02
      2  -0.147324D+02 -0.323627D+01  0.165985D+01 -0.657441D+01  0.939538D+00
      3   0.725277D+01  0.705434D+01 -0.202428D+01  0.898876D+01 -0.249507D+02
      4  -0.161410D+02 -0.162617D+02 -0.841969D+01 -0.157168D+02  0.839653D+00
      5  -0.173288D+02  0.575033D+00  0.141350D+02 -0.189406D+01  0.142905D+02
      6  -0.233296D+01  0.494826D+01  0.385442D+01  0.353093D+01  0.344671D+01
                46            47            48            49            50 
      1  -0.169131D+02  0.391004D+01  0.198671D+01  0.106466D+01 -0.786043D+01
      2   0.341175D+01 -0.300006D+01 -0.133773D+01  0.351699D+01  0.143626D+02
      3   0.135014D+02 -0.909985D+00 -0.648978D+00 -0.458165D+01 -0.650220D+01
      4  -0.194082D+01  0.431824D+01 -0.595006D+00 -0.872119D+01  0.121101D+01
      5   0.826219D+01 -0.791518D+00  0.373509D+01 -0.633156D+01 -0.150532D+01
      6  -0.351050D+01  0.111522D+00 -0.258912D+01  0.168084D+01  0.421804D+01
                51            52            53            54            55 
      1  -0.884108D+00  0.166560D+01 -0.150948D+01 -0.703004D+01  0.509578D+01
      2   0.654477D+01  0.185630D+01  0.313291D+01 -0.353969D+01 -0.505772D+00
      3  -0.566066D+01 -0.352190D+01 -0.162343D+01  0.105697D+02 -0.459001D+01
      4  -0.187023D+01 -0.443613D+01 -0.128167D+01 -0.388066D+00  0.223791D+01
      5   0.134004D+00  0.725859D+01 -0.429136D+00  0.546796D+00  0.719762D+00
      6  -0.181244D+01 -0.110535D+01  0.561468D+01 -0.263874D+01  0.109182D+01
                56            57            58            59            60 
      1   0.295392D+01 -0.240586D+00  0.679405D+01 -0.977944D+01 -0.867567D+00
      2  -0.113037D+01 -0.415012D+00 -0.155486D+01  0.255472D+02  0.595548D+01
      3  -0.182355D+01  0.655598D+00 -0.523919D+01 -0.157678D+02 -0.508791D+01
      4   0.236218D+01  0.196553D+01  0.100369D+02  0.316995D+02  0.528879D+01
      5   0.983780D+00 -0.122400D+01 -0.197201D+01  0.612755D+01  0.917904D+01
      6   0.414625D+00 -0.115533D+01 -0.101897D+01 -0.378372D+01  0.458745D+01
                61            62            63            64            65 
      1   0.459500D+01 -0.440593D+00 -0.449121D+01 -0.447787D+00  0.901197D+00
      2  -0.198333D+01  0.585549D+01  0.300551D+01 -0.275007D+01 -0.513489D+00
      3  -0.261167D+01 -0.541490D+01  0.148570D+01  0.319786D+01 -0.387708D+00
      4   0.537037D+01  0.114138D+02  0.523657D+01 -0.140877D+01 -0.161624D+01
      5  -0.485150D-01  0.589175D+01  0.410247D+01 -0.117315D+01  0.103172D+01
      6   0.186152D-02  0.353597D+01  0.270237D+01 -0.642630D+00  0.247211D+01
                66            67            68            69            70 
      1  -0.104775D+02 -0.127462D+01 -0.497458D+01  0.278602D+01 -0.908379D+01
      2  -0.917276D+00  0.921879D+00  0.216594D+01 -0.113016D+01  0.481414D+01
      3   0.113948D+02  0.352739D+00  0.280865D+01 -0.165587D+01  0.426965D+01
      4  -0.400828D+00  0.124453D+01  0.298656D+01 -0.310956D+01 -0.348363D+01
      5  -0.286247D+01  0.731224D+00 -0.243573D+01  0.224766D+01  0.828869D+01
      6  -0.279827D+01  0.366517D+00 -0.222460D+01  0.768601D+01  0.907301D-01
                71            72            73            74            75 
      1   0.396444D+01 -0.265441D+02  0.856064D+02 -0.454971D+01 -0.710860D+01
      2  -0.309511D+00 -0.144241D+02 -0.474627D+02  0.367073D+01  0.672965D+01
      3  -0.365493D+01  0.409682D+02 -0.381436D+02  0.878979D+00  0.378947D+00
      4  -0.556159D+01  0.308368D+01  0.395364D+01  0.109213D+02 -0.492061D+00
      5   0.518419D+01 -0.342202D+02 -0.249853D+02  0.931068D+00  0.137741D+02
      6   0.793249D+01 -0.124284D+02  0.968371D+00 -0.294330D+01  0.106012D+01
                76            77            78            79            80 
      1  -0.153502D+02  0.636649D+01  0.142397D+01  0.496667D+00  0.306122D+00
      2   0.906863D+01 -0.136858D+01 -0.126318D+01  0.174280D+01  0.442190D+00
      3   0.628153D+01 -0.499791D+01 -0.160794D+00 -0.223946D+01 -0.748312D+00
      4   0.924065D+01 -0.236445D+01  0.559004D+00  0.598800D+00  0.128580D+01
      5   0.570196D+01 -0.600766D+00 -0.372139D+01  0.110907D+02 -0.352318D+00
      6  -0.241348D+01  0.127890D+01  0.860663D+00  0.458019D+00  0.105594D+01
                81            82            83            84            85 
      1   0.419541D+01  0.124736D+02  0.101368D+02  0.151119D+01 -0.893904D+00
      2  -0.492663D+01 -0.836616D+01 -0.708602D+01  0.136040D+01  0.870792D+01
      3   0.731218D+00 -0.410741D+01 -0.305078D+01 -0.287159D+01 -0.781401D+01
      4  -0.456458D-01  0.592726D+01 -0.174268D+02 -0.315577D+01  0.955532D+01
      5  -0.497836D+01 -0.252049D+01 -0.255718D+01 -0.502561D+01  0.177533D+00
      6  -0.624178D+00 -0.102156D+01  0.250554D+00 -0.409804D+01  0.464762D+01
                86            87            88            89            90 
      1   0.848493D+01  0.405517D+01 -0.174175D+01  0.369892D+01 -0.152231D+02
      2  -0.135714D+02 -0.580734D+01  0.361167D+01 -0.934667D+01  0.148648D+01
      3   0.508650D+01  0.175218D+01 -0.186992D+01  0.564775D+01  0.137366D+02
      4   0.144277D+02  0.199245D+01 -0.452432D+00  0.198167D+01  0.649565D+01
      5   0.210065D+01  0.853890D+00  0.402081D+01  0.570179D+01  0.298410D+01
      6  -0.807917D+01  0.469478D+01 -0.197083D+01  0.143340D+02  0.363342D+01
                91            92            93            94            95 
      1  -0.121381D+01 -0.228835D+02 -0.555783D+01  0.265207D+02  0.425167D+01
      2  -0.175301D+01  0.144881D+02  0.124825D+00 -0.253185D+02 -0.747920D+01
      3   0.296682D+01  0.839546D+01  0.543300D+01 -0.120214D+01  0.322753D+01
      4  -0.148482D+02  0.304976D+01  0.124984D+01  0.626719D+00 -0.105050D+02
      5  -0.416472D-01  0.482594D-01  0.494247D+01 -0.516111D+01 -0.731371D+01
      6  -0.449094D-02  0.166637D+01  0.633602D+01 -0.673429D+01 -0.629855D+01
                96            97            98            99           100 
      1   0.894569D+00  0.587540D+01  0.192819D+01  0.182711D+01 -0.123397D+02
      2  -0.126349D+01 -0.863924D+01 -0.617181D+01 -0.887237D+01  0.774980D+01
      3   0.368924D+00  0.276385D+01  0.424361D+01  0.704526D+01  0.458990D+01
      4  -0.834349D+01 -0.305470D+01 -0.809599D+01  0.142912D+02  0.262097D+01
      5   0.114162D+02  0.198149D+02  0.145032D+02  0.885874D+01  0.216511D+01
      6   0.392060D+01  0.664921D+01  0.120709D+02  0.156540D+00  0.922113D+00
               101           102           103           104           105 
      1   0.483956D+01  0.297702D+01 -0.857772D+01 -0.202385D+02 -0.719398D+01
      2  -0.343464D+01 -0.975739D+00  0.784702D+01  0.182829D+02  0.915709D+01
      3  -0.140492D+01 -0.200128D+01  0.730694D+00  0.195560D+01 -0.196310D+01
      4   0.220698D+02  0.643103D+00 -0.190861D+02  0.345163D+01  0.334218D+01
      5   0.413592D+00  0.176376D+02 -0.104890D+02  0.892102D+00 -0.217508D+01
      6   0.148156D+00 -0.234738D+01  0.295752D+01  0.447270D+01 -0.407916D+01
               106           107           108           109           110 
      1   0.784466D+00 -0.700955D+01  0.140303D+02  0.945773D+01  0.204251D+02
      2   0.141747D+01  0.536458D+01 -0.168239D+02 -0.884857D+01 -0.131783D+02
      3  -0.220194D+01  0.164497D+01  0.279355D+01 -0.609157D+00 -0.724683D+01
      4  -0.113778D+02  0.177769D+01 -0.312866D+01  0.151823D+02 -0.565844D+01
      5   0.354554D+02 -0.312326D+01 -0.302905D+01  0.403396D+01 -0.682073D+00
      6  -0.212177D+01  0.620673D+01 -0.401839D+01 -0.395581D+01 -0.161678D+00
               111           112           113           114           115 
      1   0.321552D+01 -0.205231D+02  0.110543D+02  0.328409D+01 -0.388351D+01
      2  -0.319782D+00  0.187923D+02 -0.154420D+02 -0.592448D+01  0.619522D+01
      3  -0.289573D+01  0.173076D+01  0.438768D+01  0.264039D+01 -0.231171D+01
      4  -0.228195D+01  0.112595D+02  0.385551D+01  0.581156D+01 -0.127127D+01
      5  -0.183073D+01 -0.340483D+00  0.627471D+01 -0.106154D+02  0.133686D+02
      6  -0.446225D+01  0.440011D+01 -0.958760D+01  0.617747D+01 -0.586575D+01
               116           117           118           119           120 
      1   0.159680D+01 -0.615560D+01 -0.887035D+00 -0.172815D+02 -0.378351D+01
      2  -0.828819D+01 -0.419507D+01 -0.187950D+00  0.125408D+02 -0.427104D+00
      3   0.669139D+01  0.103507D+02  0.107499D+01  0.474078D+01  0.421062D+01
      4   0.792000D+01 -0.144592D+02 -0.107975D+02 -0.112084D+02 -0.549538D+00
      5  -0.146155D+02 -0.789196D+01 -0.326849D+01 -0.130867D+01 -0.287439D+01
      6   0.153360D+02  0.317310D+01  0.195481D+01  0.424515D+00  0.701862D+01
               121           122           123           124           125 
      1   0.453515D+01  0.237065D+01  0.304146D+01  0.192687D+00  0.395127D+01
      2  -0.136710D+02 -0.526884D+01 -0.301027D+01 -0.569590D+01 -0.612738D+01
      3   0.913587D+01  0.289819D+01 -0.311897D-01  0.550321D+01  0.217611D+01
      4   0.393930D+01 -0.135593D+02 -0.228096D+01  0.214914D+01 -0.146367D+01
      5   0.323752D+01 -0.216221D+01  0.147247D+01  0.194317D+01 -0.178219D+01
      6  -0.653012D+01 -0.459011D+01  0.371328D+01  0.518328D+01  0.108699D+02
               126           127           128           129           130 
      1  -0.145096D+02 -0.510622D+01  0.894382D+01  0.199747D+01  0.746743D+01
      2   0.153095D+01  0.652785D+01 -0.109609D+02 -0.151295D+01 -0.899679D+01
      3   0.129787D+02 -0.142163D+01  0.201710D+01 -0.484521D+00  0.152936D+01
      4  -0.283177D+01 -0.386997D+01  0.720084D+01  0.116908D+01  0.542265D+01
      5   0.285270D+00 -0.868428D+00  0.116454D+01  0.153288D+01  0.100595D+01
      6   0.473308D+00  0.198450D+01 -0.269585D+01 -0.236991D+01 -0.233456D+01
               131           132           133           134           135 
      1  -0.332285D+02 -0.638461D+01  0.151107D+01 -0.604573D+01 -0.262690D+01
      2   0.440995D+02  0.571434D+01 -0.188062D+01  0.734647D+01  0.297259D+01
      3  -0.108710D+02  0.670274D+00  0.369551D+00 -0.130074D+01 -0.345692D+00
      4   0.782774D+00  0.405094D+00  0.120562D+01  0.136528D+00 -0.115762D+01
      5   0.578710D+00  0.779979D-01  0.628875D+00 -0.426868D+00 -0.394366D+00
      6   0.103429D+02  0.839731D+01 -0.620276D+00  0.391109D+01  0.245437D+01
               136           137           138           139           140 
      1   0.223146D+02  0.134782D+02  0.227554D+01  0.955326D+01  0.325711D+01
      2  -0.456125D+01  0.991714D+00 -0.927259D+00  0.555068D+01  0.162780D+02
      3  -0.177534D+02 -0.144699D+02 -0.134828D+01 -0.151039D+02 -0.195351D+02
      4   0.326556D+02  0.299996D+02  0.393962D+01  0.331140D+02  0.430235D+02
      5   0.617364D+01  0.448069D+01  0.663901D+01  0.621913D+01  0.719141D+01
      6   0.244967D+01  0.215659D+01  0.343138D+01  0.385969D+01  0.545245D+01
               141           142           143           144           145 
      1   0.606879D+00  0.138012D+01  0.126005D+00  0.572626D-02  0.978396D+02
      2   0.623210D+00  0.867985D+00  0.242120D+01  0.873653D+00 -0.549423D+02
      3  -0.123009D+01 -0.224810D+01 -0.254720D+01 -0.879380D+00 -0.428973D+02
      4   0.628365D+01  0.552653D+01  0.686567D+01  0.290482D+01 -0.150504D+02
      5   0.639105D+01  0.257700D+01  0.248479D+01  0.157485D+01 -0.476166D+01
      6   0.627561D+01  0.176785D+01  0.258398D+01  0.179545D+01 -0.203345D+01
               146           147           148           149           150 
      1  -0.888167D+01 -0.379094D+01 -0.828657D+01  0.952209D+01  0.155749D+01
      2   0.424531D+01  0.254055D+01  0.354960D+01 -0.421645D+01 -0.131083D+01
      3   0.463636D+01  0.125039D+01  0.473697D+01 -0.530563D+01 -0.246654D+00
      4   0.106180D+02  0.346161D+00  0.158839D+02 -0.470250D+01 -0.960488D+00
      5   0.148993D+00  0.108424D+02  0.300013D+01 -0.886035D+00 -0.141989D+01
      6  -0.519544D-01 -0.802312D+00 -0.419478D+00 -0.129114D+00  0.163976D+01
               151           152           153           154           155 
      1  -0.408529D+01  0.159483D+01  0.291829D+01  0.535091D+01 -0.424423D+01
      2   0.219613D+01 -0.889637D+00 -0.185057D+01  0.337459D+01 -0.547417D+01
      3   0.188916D+01 -0.705189D+00 -0.106773D+01 -0.872550D+01  0.971840D+01
      4   0.315480D+01 -0.114513D+01 -0.645747D+00 -0.182219D+02  0.229084D+02
      5   0.234953D+01 -0.405990D+00 -0.929962D+00 -0.342513D+01  0.376032D+01
      6  -0.134534D+00  0.654583D+00  0.369793D+00  0.257812D+01 -0.288103D+01
               156           157           158           159           160 
      1  -0.876832D+00  0.447383D+00 -0.162433D+02 -0.307813D+01 -0.664416D-01
      2  -0.268951D+00 -0.110491D+02  0.381013D+02  0.464116D+01 -0.168710D+01
      3   0.114578D+01  0.106018D+02 -0.218580D+02 -0.156303D+01  0.175354D+01
      4   0.414071D+01  0.242198D+02 -0.463105D+02 -0.828484D+01  0.482115D+01
      5   0.445508D+01  0.430265D+01 -0.751924D+01 -0.607637D+01  0.196719D+01
      6  -0.273461D+01 -0.425387D+01  0.104036D+02  0.880445D+01 -0.179010D+01
               161           162           163           164           165 
      1  -0.282673D+01 -0.159362D+01 -0.326049D+01 -0.651560D+01 -0.131861D+01
      2   0.639710D+01  0.250766D+01  0.517854D+01  0.921029D+01  0.927761D+00
      3  -0.357037D+01 -0.914034D+00 -0.191805D+01 -0.269469D+01  0.390849D+00
      4  -0.911296D+01 -0.309670D+01  0.902867D+01  0.813711D+01  0.618896D+00
      5  -0.227495D+01 -0.175145D+01 -0.202688D+00  0.592848D+00  0.199208D+01
      6   0.391829D+01  0.269369D+01  0.811422D+00  0.167167D+01  0.236409D+01
               166           167           168           169           170 
      1  -0.758012D+01 -0.200800D+02 -0.330981D+01 -0.128165D+01 -0.316058D+01
      2   0.103123D+02  0.269571D+02  0.258206D+01  0.207619D+01  0.396666D+01
      3  -0.273218D+01 -0.687717D+01  0.727751D+00 -0.794545D+00 -0.806087D+00
      4   0.858675D+01  0.834206D+01  0.804044D+00  0.108483D+01  0.114525D+01
      5   0.838915D+00  0.900168D+00  0.156529D+01  0.853392D+00  0.696950D+00
      6   0.210900D+01  0.458634D+01  0.560239D+01  0.593405D+00  0.216883D+01
               171 
      1  -0.724813D+00
      2   0.141157D+01
      3  -0.686754D+00
      4   0.187732D+01
      5   0.486272D+00
      6   0.116672D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.643137D+00      0.163469D+01      0.545275D+01
   x         -0.414972D+00     -0.105475D+01     -0.351828D+01
   y          0.430442D+00      0.109407D+01      0.364944D+01
   z         -0.236947D+00     -0.602259D+00     -0.200892D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.947017D+02      0.140333D+02      0.156142D+02
   aniso      0.477336D+02      0.707338D+01      0.787020D+01
   xx         0.120315D+03      0.178288D+02      0.198373D+02
   yx         0.658091D+00      0.975190D-01      0.108504D+00
   yy         0.970347D+02      0.143791D+02      0.159989D+02
   zx        -0.168596D+01     -0.249834D+00     -0.277977D+00
   zy         0.591442D+01      0.876426D+00      0.975156D+00
   zz         0.667553D+02      0.989212D+01      0.110065D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.104043D+03      0.154175D+02      0.171543D+02
   aniso      0.498650D+02      0.738923D+01      0.822163D+01
   xx         0.131474D+03      0.194824D+02      0.216771D+02
   yx         0.104369D+01      0.154660D+00      0.172082D+00
   yy         0.105541D+03      0.156395D+02      0.174013D+02
   zx        -0.146524D+01     -0.217126D+00     -0.241585D+00
   zy         0.545805D+01      0.808800D+00      0.899911D+00
   zz         0.751134D+02      0.111307D+02      0.123845D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     8          1.06769431         -2.11508468         -4.15855482
     6          2.09106880         -0.30135558         -2.41856796
     1          0.42917632         -3.52524239         -3.19773248
     1          2.30108628          1.40968632         -3.55141128
     6          4.69568660         -1.11614513         -1.50044667
     6          0.22793453          0.25468875         -0.31926551
     1          4.60407522         -2.88607999         -0.44456533
     1          5.52493693          0.31960982         -0.27291979
     1          5.93541503         -1.40762384         -3.11920623
     6         -1.33996906          2.36446622         -0.47735407
     6         -3.12791380          2.86092163          1.37958643
     6         -3.38144689          1.23735887          3.42798868
     6         -1.83254271         -0.87626101          3.60663543
     6         -0.03887991         -1.35708526          1.75072863
     1         -1.15766375          3.62580393         -2.07949126
     1         -4.32445908          4.51305342          1.22607504
     1         -4.77269304          1.61821220          4.87797413
     1         -2.01243294         -2.14636733          5.20028364
     1          1.16740130         -2.99990985          1.93360185

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.643137D+00      0.163469D+01      0.545275D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.643137D+00      0.163469D+01      0.545275D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.947017D+02      0.140333D+02      0.156142D+02
   aniso      0.477336D+02      0.707338D+01      0.787020D+01
   xx         0.950926D+02      0.140913D+02      0.156787D+02
   yx        -0.168015D+02     -0.248972D+01     -0.277019D+01
   yy         0.906823D+02      0.134377D+02      0.149515D+02
   zx        -0.209882D+02     -0.311013D+01     -0.346048D+01
   zy        -0.468700D+01     -0.694541D+00     -0.772781D+00
   zz         0.983301D+02      0.145710D+02      0.162124D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.104043D+03      0.154175D+02      0.171543D+02
   aniso      0.498650D+02      0.738923D+01      0.822163D+01
   xx         0.104978D+03      0.155562D+02      0.173086D+02
   yx        -0.178262D+02     -0.264157D+01     -0.293915D+01
   yy         0.992322D+02      0.147047D+02      0.163612D+02
   zx        -0.218279D+02     -0.323456D+01     -0.359894D+01
   zy        -0.388495D+01     -0.575691D+00     -0.640542D+00
   zz         0.107917D+03      0.159917D+02      0.177932D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-U23-30\Freq\RLC-PBEPBE\Gen\C8H10O1\PIERPA\16-Aug-2021\0\\
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=026600000
 0,3/108=0266000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )\\ROA calculations.\\0,1\O,2.16622,-0.541659,1.195302\C,1.64602,-0.40
 0115,-0.135719\H,1.838555,0.193959,1.725431\H,1.824407,-1.375317,-0.59
 2567\C,2.427578,0.650046,-0.915467\C,0.1504,-0.165668,-0.105785\H,2.32
 8899,1.638727,-0.463185\H,2.074,0.712216,-1.946429\H,3.485412,0.387513
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 85458,1.096625,0.15259\H,-0.321703,-2.220444,-0.483457\H,-2.764487,-1.
 894375,-0.360877\H,-3.693001,0.3546,0.105456\H,-2.1581,2.269728,0.4334
 53\H,0.270579,1.94761,0.286902\\Version=ES64L-G16RevA.03\State=1-A\HF=
 -386.2755634\RMSD=3.962e-09\RMSF=5.420e-06\ZeroPoint=0.1606776\Thermal
 =0.1692599\Dipole=-0.4149719,0.4304419,-0.2369469\DipoleDeriv=-0.79068
 52,-0.0411031,-0.1481094,-0.0771915,-0.2961364,0.1243938,-0.2419024,0.
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 0039271,-0.0476104,0.0276141,-0.1144327,-0.1628114,0.0157237,0.0303881
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 0134223,0.0118527,-0.0141421,0.1322396,0.0318674,0.0524507,0.0130364,0
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 0.0875508,-0.0198858,-0.0951515,-0.0200266,-0.0184007,-0.016494,-0.018
 9108,0.1170934\Polar=120.3150089,0.6580906,97.034688,-1.6859601,5.9144
 176,66.7553385\Quadrupole=-0.2567235,2.2185791,-1.9618556,1.9973086,-1
 .9179414,3.0743815\PG=C01 [X(C8H10O1)]\NImag=0\\0.16311466,-0.16675492
 ,0.37655490,-0.01027097,0.18011942,0.42581057,-0.07988513,0.01100005,-
 0.04417747,0.47525050,0.02467044,-0.08411111,0.02161487,-0.02033104,0.
 60046421,-0.02819644,-0.01583709,-0.17348083,-0.03569938,0.07615795,0.
 44365921,-0.07463263,0.15279103,0.09406451,0.00257635,-0.01279673,-0.0
 1401550,0.07154637,0.13900591,-0.30464639,-0.21275600,-0.00085676,0.00
 012891,0.00504792,-0.13829420,0.30142748,0.06553757,-0.17442083,-0.168
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 0053228,-0.01816190,-0.02287280,0.01615618,-0.03897591,0.52077749,0.00
 914755,0.02995091,-0.04068131,0.02589795,0.02469606,-0.09034720,0.0005
 2335,0.00160892,0.00011368,-0.00548132,-0.00713171,0.00816600,0.034230
 76,0.03634089,0.54131809,-0.02114778,0.00553253,-0.01777870,-0.1830755
 1,0.01822818,0.01359381,0.00159079,0.00018096,-0.00026892,-0.00988980,
 0.00228391,0.00026605,-0.02166811,-0.00242800,0.00633732,0.62853489,0.
 00398823,0.00405118,0.00148724,0.01389273,-0.10063222,-0.00547017,-0.0
 0211222,0.00127656,0.00053738,0.03019896,-0.00615061,-0.00169503,-0.02
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 -0.00099329,0.00185420,-0.01724275,-0.00941567,0.00044188,0.00029534,0
 .00032716,-0.00124342,-0.00244290,0.00223707,-0.04926399,0.02355057,0.
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 A FOOL CAN ASK MORE QUESTIONS THAN
 A WISE MAN CAN ANSWER.
 Job cpu time:       0 days  3 hours 26 minutes 48.2 seconds.
 Elapsed time:       0 days  0 hours 25 minutes 56.4 seconds.
 File lengths (MBytes):  RWF=    251 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Mon Aug 16 21:45:50 2021.
